Phenylmalonic acid - ≥98% , CAS No.2613-89-0

CAS: 2613-89-0 Cat. No.: P113809 분자식: C9H8O4 분자량: 180.16 Beilstein Registry Number: 2048729 EC 번호: 220-044-6
주문 가능
GRADE & PURITY ≥98%
Synonyms
alpha-Carboxyphenylacetic acid | Phenylpropanedioc acid | .alpha.-Carboxyphenylacetic acid | 92EX195E1G | 1H-Pyrazol-4-ol, 4-(2,4-dichlorobenzoyl)-1,3-dimethyl-, p-toluenesulfonate | Toluene-.alpha.,.alpha.-dicarboxylic acid | NSC 41697 | Toluene-alpha,al
Storage
Room temperature
Shipped In
Normal
★
Size
USA
독일 (EU)*
Price
Qty
5g
P113809-5g
1 재고 있음
—

US$9.90

US$14.90
저장 US$5.00 (33.56%)
25g
P113809-25g
3 재고 있음
—

US$15.90

US$23.90
저장 US$8.00 (33.47%)
100g
P113809-100g
재고 있음 ≥10
—

US$42.90

US$64.90
저장 US$22.00 (33.90%)
500g
P113809-500g
주문제작 · 8~12주

US$199.90

US$299.90
저장 US$100.00 (33.34%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어
alpha-Carboxyphenylacetic acid | Phenylpropanedioc acid | .alpha.-Carboxyphenylacetic acid | 92EX195E1G | 1H-Pyrazol-4-ol, 4-(2,4-dichlorobenzoyl)-1,3-dimethyl-, p-toluenesulfonate | Toluene-.alpha.,.alpha.-dicarboxylic acid | NSC 41697 | Toluene-alpha,al
사양 및 순도
≥98%
보관 조건
Room temperature
배송
Normal
순수함
≥98%
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488185168
정식 스마일
C1=CC=C(C=C1)C(C(=O)O)C(=O)O
IUPAC Name
2-phenylpropanedioic acid
InChIKey
WWYDYZMNFQIYPT-UHFFFAOYSA-N
INCHI
1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
이성체 SMILES
C1=CC=C(C=C1)C(C(=O)O)C(=O)O
WGK 독일
3
분자량
180.16
Beilstein
2048729
Reaxy-Rn
2048729
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048729&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
분류Benzene and substituted derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Dicarboxylic acids and derivatives  1,3-dicarbonyl compounds  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate Type날짜항목
H2603091Certificate of AnalysisAug 07, 2026 P113809
L2121115Certificate of AnalysisOct 11, 2025 P113809
K2115304Certificate of AnalysisAug 13, 2025 P113809
I2509557Certificate of AnalysisJun 17, 2024 P113809
I2509558Certificate of AnalysisJun 17, 2024 P113809
D1922068Certificate of AnalysisFeb 03, 2023 P113809
D2324763Certificate of AnalysisDec 02, 2021 P113809
화학 및 물리적 특성
녹는점(°C)149-152°C
분자량180.160 g/mol
XLogP31.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass180.042 Da
Monoisotopic Mass180.042 Da
Topological Polar Surface Area74.600 Ų
Heavy Atom Count13
Formal Charge0
Complexity192.000
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
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