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Isovanillic acid - 10mM in DMSO , CAS No.645-08-9

CAS: 645-08-9 Cat. No.: I425268 分子式: C8H8O4 分子量: 168.15 Beilstein Registry Number: 10393 EC番号: 211-430-5
3 Citations COA
Isovanillic acid - 10mM in DMSO CAS No(645-08-9) by Aladdin Scientific
注文可能
GRADE & PURITY 10mM in DMSO
Synonyms
DTXSID40214745 | CCG-266344 | EINECS 211-430-5 | GS-3245 | 3-Hydroxy-p-anisic acid | UNII-A8D1DUX2PR | AC-2478 | 3-Hydroxyanisic acid | Acide isovanillique | InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11 | SCHEMBL180473 | Benzoic acid,
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
USA
ドイツ (EU)*
Price
Qty
1ml
I425268-1ml
1 在庫あり
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$58.90

$69.90
保存 $11.00 (15.74%)
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♡ ウィッシュリスト ⇅ 比較リストに入れる ⎙ Print page
SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
概要 Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 Citations of This Product ソリューション計算機 レビュー
🧪
Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

It can be used in the synthesis of opiate alkaloid precursor, dihydrothebainone.

Specifications

同義語
DTXSID40214745 | CCG-266344 | EINECS 211-430-5 | GS-3245 | 3-Hydroxy-p-anisic acid | UNII-A8D1DUX2PR | AC-2478 | 3-Hydroxyanisic acid | Acide isovanillique | InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11 | SCHEMBL180473 | Benzoic acid,
仕様と純度
10mM in DMSO
保管条件
Store at -80°C
入荷
Dry ice packs + Cold packs
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
名前と識別子
パブケム・シド
528771822
カノニカル・スマイル
COC1=C(C=C(C=C1)C(=O)O)O
IUPAC Name
3-hydroxy-4-methoxybenzoic acid
InChIKey
LBKFGYZQBSGRHY-UHFFFAOYSA-N
INCHI
1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
異性体SMILES
COC1=C(C=C(C=C1)C(=O)O)O
WGKドイツ
3
RTECS
BZ4850000
分子量
168.15
Beilstein
10393
Reaxy-Rn
2208365
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208365&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
分類Benzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Methoxybenzoic acids and derivatives
Direct ParentP-methoxybenzoic acids and derivatives
Alternative Parents Methoxyphenols  Hydroxybenzoic acid derivatives  Benzoic acids  Phenoxy compounds  Methoxybenzenes  Benzoyl derivatives  Anisoles  Alkyl aryl ethers  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents P-methoxybenzoic acid or derivatives - Hydroxybenzoic acid - Methoxyphenol - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
説明This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
External Descriptors monohydroxybenzoic acid - methoxybenzoic acid
3 D構造
インタラクティブ化学構造モデル





関連ターゲット（人間）
TYR Tclin Tyrosinase (717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
COMT Tclin Catechol O-methyltransferase (404 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TPMT Tchem Thiopurine S-methyltransferase (45 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット（非人間）
PPO Polyphenol oxidase (10 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
融点（°C）250-253°C
分子量168.150 g/mol
XLogP31.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass168.042 Da
Monoisotopic Mass168.042 Da
Topological Polar Surface Area66.800 Ų
Heavy Atom Count12
Formal Charge0
Complexity168.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
How to Cite Aladdin Scientific Products? Citations Search
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