CAS 1690177-33-3 (1s,4s)-4-(Methoxycarbonyl)-4-methylcyclohexane-1-carboxylic acid (HCID 59133139)

기본 정보

CAS: 1690177-33-3
표준 SMILES: COC(=O)C1(C)CCC(C(=O)O)CC1
InChIKey: CMSGDCCPUJIGNT-UHFFFAOYSA-N
분자식: C10H16O4
평균 분자량: 200.23 g/mol

이름 및 식별자

우선 이름: (1s,4s)-4-(Methoxycarbonyl)-4-methylcyclohexane-1-carboxylic acid
IUPAC: 4-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid
영어명: 1-Methyl cis-1-methyl-1,4-cyclohexanedicarboxylate
분자량: 0

이름 및 동의어

1690177-33-3(1s,4s)-4-(methoxycarbonyl)-4-methylcyclohexane-1-carboxylic acidRefChem:394203892-268-81056639-33-84-(methoxycarbonyl)-4-methylcyclohexanecarboxylic acid1-Methyl-cyclohexane-1,4-dicarboxylic acid monomethyl esterMFCD264020384-(METHOXYCARBONYL)-4-METHYLCYCLOHEXANE-1-CARBOXYLIC ACID4-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid1-Methyl cis-1-methyl-1,4-cyclohexanedicarboxylateSCHEMBL595271

이름 더 보기

SCHEMBL18169491SCHEMBL20000454CMSGDCCPUJIGNT-UHFFFAOYSA-Nrac-(1s,4s)-4-(methoxycarbonyl)-4-methylcyclohexane-1-carboxylicacidAKOS027323511SB30426AS-43242DA-15916

데이터베이스 식별자

CAS: 1690177-33-3
PubChem CID: 59133139
EC Number: 892-268-8

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 239

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)

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