It was added as carbon supplement in the culture medium of Moraxella osloensis. Photophysics of 2-methoxybenzoic acid has been investigated using both the time-correlated single photon counting and the fluorescence up-conversion techniques.
It was used as internal standard during quantification of free and conjugated salicylic acid in tomato (Lycopersicon esculentum) cells by HPLC. It was also employed in the synthesis of pthalides.

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10mM in DMSO

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이름과 식별자

Pubchem Sid

528757448

정식 스마일

COC1=CC=CC=C1C(=O)O

IUPAC Name

2-methoxybenzoic acid

InChIKey

ILUJQPXNXACGAN-UHFFFAOYSA-N

INCHI

1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)

이성체 SMILES

COC1=CC=CC=C1C(=O)O

WGK 독일

RTECS

BZ4385000

대체 CAS

529-75-9

분자량

152.15

Beilstein

509929

Reaxy-Rn

509929

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509929&ln=

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고급 데이터

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 분류 Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Methoxybenzoic acids and derivatives
        Level6 O-methoxybenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
분류	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Methoxybenzoic acids and derivatives
Direct Parent	O-methoxybenzoic acids and derivatives
Alternative Parents	Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-methoxybenzoic acid or derivatives - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
설명	This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group.
External Descriptors	methoxybenzoic acid
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

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📚 응용 분야별 인용

Spectroscopy sample preparation2

Other applications6

Organic synthesis — reaction medium3

Chromatography (HPLC / GC / TLC)1

Extraction & workup solvent1

Electrochemistry & battery electrolyte1

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감도	Moisture sensitive.
끓는점(°C)	200°C
녹는점(°C)	110°C
분자량	152.150 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	152.047 Da
Monoisotopic Mass	152.047 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

2-Methoxybenzoic acid - 10mM in DMSO , CAS No.579-75-9

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