3-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid

HCID 54696064

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 169237-37-0
표준 SMILES: Cn1ccc(C(=O)O)c(O)c1=O
InChIKey: AUTKTIRQKUQXTL-UHFFFAOYSA-N
분자식: C7H7NO4
평균 분자량: 169.13 g/mol

이름 및 식별자

우선 이름: 3-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
IUPAC: 3-hydroxy-1-methyl-2-oxopyridine-4-carboxylic acid

이름 및 동의어

169237-37-03-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acidRefChem:502286877-536-43-hydroxy-1-methyl-2-oxo-pyridine-4-carboxylic acid3-hydroxy-1-methyl-2-oxopyridine-4-carboxylic acidSCHEMBL2239237AUTKTIRQKUQXTL-UHFFFAOYSA-NUGA23737AKOS022711757AT19249SB74822

이름 더 보기

DB-136631EN300-7027274-Carboxy-1-methyl-3-hydroxy-2(1H)-pyridinone3-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylicacid

데이터베이스 식별자

CAS: 169237-37-0
PubChem CID: 54696064
EC Number: 877-536-4
Nikkaji: J687.143G

물성

구조 계산 물성

XLogP: 0
극성 표면적: 77.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 303

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.