6-Methylchromone-2-carboxylic Acid

HCID 688704CAS 5006-44-0

기본 정보

표준 SMILES: Cc1ccc2oc(C(=O)O)cc(=O)c2c1
InChIKey: RKIDLZFIIVDZNX-UHFFFAOYSA-N
분자식: C11H8O4
평균 분자량: 204.18 g/mol

이름 및 식별자

우선 이름: 6-Methylchromone-2-carboxylic Acid
IUPAC: 6-methyl-4-oxochromene-2-carboxylic acid

이름 및 동의어

6-Methylchromone-2-carboxylic acid5006-44-06-methyl-4-oxochromene-2-carboxylic acidRefChem:105024622-748-2RKIDLZFIIVDZNX-UHFFFAOYSA-N6-methyl-4-oxo-4H-chromene-2-carboxylic acidMFCD00239435Maybridge3_0033934h-1-benzopyran-2-carboxylic acid, 6-methyl-4-oxo-Oprea1_814757STK891480

이름 더 보기

AKOS0002959306-Methylchromone-2-carboxylic acid, 98%6-METHYL-4-OXO-4H-1-BENZOPYRAN-2-CARBOXYLIC ACIDFT-0635511SCHEMBL379054HMS1440K05STR04891SBB076125

데이터베이스 식별자

CAS: 5006-44-0
PubChem CID: 688704
EC Number: 622-748-2
Nikkaji: J3.327.538B

물성

구조 계산 물성

XLogP: 2
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 331

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.