rac-(1R,2S)-2-(methoxycarbonyl)cyclopentane-1-carboxylic acid

HCID 11344263CAS 92541-43-0
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기본 정보

표준 SMILES
COC(=O)[C@@H]1CCC[C@@H]1C(=O)O
InChIKey
KYGFHAUBFNTXFK-NTSWFWBYSA-N
분자식
C8H12O4
평균 분자량
172.18 g/mol

이름 및 식별자

우선 이름
rac-(1R,2S)-2-(methoxycarbonyl)cyclopentane-1-carboxylic acid
IUPAC
cis-(1S,2R)-2-methoxycarbonylcyclopentane-1-carboxylic acid

이름 및 동의어

rac-(1R,2S)-2-(methoxycarbonyl)cyclopentane-1-carboxylic acidRefChem:872781829-897-488315-64-4(1S,2R)-2-METHOXYCARBONYLCYCLOPENTANECARBOXYLIC ACID1S,2R)-cis-2-Methoxycarbonyl-cyclopentane-1-carboxylic acid1,2-Cyclopentanedicarboxylic acid, 1-methyl ester, (1R,2S)-rel-(1S,2R)-2-(METHOXYCARBONYL)CYCLOPENTANE-1-CARBOXYLIC ACID(1S,2R)-cis-2-methoxycarbonyl-cyclopentane-1-carboxylic acidorb3144355SCHEMBL2983236KYGFHAUBFNTXFK-NTSWFWBYSA-N
이름 더 보기
MFCD24396361TYD-03696AT11432H60391EN300-1709669(1S,2R)-2-(methoxycarbonyl)cyclopentanecarboxylic acidrac-cis-cyclopentane-1,2-dicarboxylic acid monomethyl ester(1R,2S)-2-(METHOXYCARBONYL)-CYCLOPENTANE-1-CARBOXYLIC ACID

데이터베이스 식별자

CAS
92541-43-0
PubChem CID
11344263
EC Number
829-897-4
Nikkaji
J1.459.837E

물성

구조 계산 물성

XLogP
0.6
극성 표면적
63.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
12

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

관련 반응

2건
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