CAS 23020-15-7 2-Phenyl-1-cyclopropanecarboxylic acid, (1S-trans)- (HCID 778517)

기본 정보

CAS: 23020-15-7
표준 SMILES: O=C(O)[C@H]1C[C@@H]1c1ccccc1
InChIKey: AHDDRJBFJBDEPW-BDAKNGLRSA-N
분자식: C10H10O2
평균 분자량: 162.18 g/mol

이름 및 식별자

우선 이름: 2-Phenyl-1-cyclopropanecarboxylic acid, (1S-trans)-
IUPAC: trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid
현지명: (1S,2S)-2-페닐시클로프로판-1-카르복실산
영어명: (1S,2S)-2-Phenylcyclopropane-1-carboxylic acid
분자식: C10H10O2
분자량: 162.19

이름 및 동의어

(1s,2s)-2-phenylcyclopropanecarboxylic acid23020-15-7(1S,2S)-2-phenylcyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 2-phenyl-, (1S,2S)-89U9JC5NLS2-Phenyl-1-cyclopropanecarboxylic acid, (1S-trans)-(1S-trans)-2-Phenylcyclopropanecarboxylic acid(+)-trans-2-Phenyl-1-cyclopropanecarboxylic acid2-Phenyl-1-cyclopropanecarboxylic acid, trans-(+)-RefChem:478003821-598-7MFCD12195831

이름 더 보기

(1S,2S)-2-페닐시클로프로판-1-카르복실산1α-Phenyl-2β-cyclopropanecarboxylic acid(1S,2S)-2-phenylcyclopropane-1-carboxylic acid - [P85415](1R,2R)-2-phenylcyclopropane-1-carboxylic acid ((1S,?2S)?-?(+)?-?trans-?2-?phenylcyclopropaneca?rboxylic acid)

UNII-89U9JC5NLSSCHEMBL1172743AS-472602-Phenylcyclopropanecarboxylic acid, transCyclopropanecarboxylic acid, 2-phenyl-, trans-F12973Cyclopropanecarboxylic acid,CHEMBL3786890

데이터베이스 식별자

CAS: 23020-15-7
PubChem CID: 778517
ChEMBL: CHEMBL3786890
UNII: 89U9JC5NLS
EC Number: 821-598-7
Nikkaji: J83.244H

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 182

물리화학적 성질

녹는점: 49.5 · 49.5-50.5 °C
끓는 점: 125 · 125-135 °C(Press: 0.05 Torr)
밀도: 1.25 · 1.250±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 4.57 · 4.57±0.10(Predicted)

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.