Cyclopentanecarboxylic acid, 3-hydroxy-, methyl ester

HCID 520596CAS 32811-76-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C1CCC(O)C1
InChIKey: ASZRODBLMORHAR-UHFFFAOYSA-N
분자식: C7H12O3
평균 분자량: 144.17 g/mol
단동위원소 질량: 144.07864424

개요

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이름 및 식별자

우선 이름: Cyclopentanecarboxylic acid, 3-hydroxy-, methyl ester
IUPAC: methyl 3-hydroxycyclopentane-1-carboxylate
영어명: Methyl 3-Hydroxycyclopentanecarboxylate
분자식: C7H12O3
분자량: 144.17

이름 및 동의어

32811-76-0methyl 3-hydroxycyclopentane-1-carboxylateCyclopentanecarboxylic acid, 3-hydroxy-, methyl esterDTXSID601215959RefChem:580986DTXCID301647298856-589-7Methyl 3-hydroxycyclopentanecarboxylate3-Hydroxy-cyclopentanecarboxylic acid methyl esterMFCD20040367methyl (1S)-3-hydroxycyclopentane-1-carboxylatemethyl cis-3-hydroxycyclopentane-1-carboxylate

이름 더 보기

(3-Bromophenyl)(phenyl)methanaminehcl3-hydroxyCyclopentane carboxylic acid Methyl ester

79598-73-5SCHEMBL417483ASZRODBLMORHAR-UHFFFAOYSA-NHBA81176Methyl3-hydroxycyclopentanecarboxylateAKOS023611673SB11634SB12598

데이터베이스 식별자

CAS: 32811-76-0
PubChem CID: 520596
DTXSID: DTXSID601215959
EC Number: 856-589-7

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 133

물리화학적 성질

끓는 점: 106 °C · 106 °C(Press: 15 Torr)
밀도: 1.169 · 1.169±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 14.84 · 14.84±0.40(Predicted)

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.