2-Hydroxy-5-(methoxycarbonyl)benzoic acid

HCID 12717060

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 79128-78-2
표준 SMILES: COC(=O)c1ccc(O)c(C(=O)O)c1
InChIKey: LIQLYTSJSBMCAH-UHFFFAOYSA-N
분자식: C9H8O5
평균 분자량: 196.16 g/mol

이름 및 식별자

우선 이름: 2-Hydroxy-5-(methoxycarbonyl)benzoic acid
IUPAC: 2-hydroxy-5-methoxycarbonylbenzoic acid

이름 및 동의어

2-hydroxy-5-(methoxycarbonyl)benzoic acid79128-78-2MFCD169877122-hydroxy-5-methoxycarbonylbenzoic acid1,3-Benzenedicarboxylic acid, 4-hydroxy-, 1-methyl ester5-(methoxycarbonyl)-2-hydroxybenzoic acid2-carboxy-4-methoxycarbonylphenolate4-hydroxyisophthalic acid 1-methyl ester5-Carbomethoxysalicylic acidSCHEMBL136284LIQLYTSJSBMCAH-UHFFFAOYSA-Nmethyl 3-carboxy-4-hydroxybenzoate

이름 더 보기

CS-M10892-hydroxy-5-carbomethoxybenzoic acidAKOS022505774DS-83652-hydroxy-5-(methoxycarbonyl)benzoicacid2-hydroxy-5-methoxycarbonyl-benzoic acidSY115231DB-347119

데이터베이스 식별자

CAS: 79128-78-2
PubChem CID: 12717060
EC Number: 154-023-7
Nikkaji: J1.483.027H

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 83.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 237

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.