2-페닐-사이클로프로판카르복실산

2-Phenylcyclopropane-1-carboxylic acid

HCID 70323CAS 5685-38-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)C1CC1c1ccccc1
InChIKey: AHDDRJBFJBDEPW-UHFFFAOYSA-N
분자식: C10H10O2
평균 분자량: 162.18 g/mol
단동위원소 질량: 162.06807956

개요

inhibits 1-aminocyclopropane-1-carboxylic acid oxidase; structure in first source

이름 및 식별자

우선 이름: 2-Phenylcyclopropane-1-carboxylic acid
IUPAC: 2-phenylcyclopropane-1-carboxylic acid
현지명: 2-페닐-사이클로프로판카르복실산
영어명: 2-Phenyl-cyclopropanecarboxylic acid
분자식: C10H10O2
분자량: 162.19

이름 및 동의어

5685-38-12-phenylcyclopropane-1-carboxylic acidt-PCP-DCARefChem:478162675-510-52-Phenyl-cyclopropanecarboxylic acidMFCD00066860Cyclopropanecarboxylic acid, 2-phenyl-NSC2458552-phenyl-1-cyclopropanecarboxylic acidcis-1-Phenylcyclopropane-2-carboxylic acidrel-((1S,2R)-2-Phenylcyclopropane-1-carboxylic acid)

이름 더 보기

2-페닐-사이클로프로판카르복실산AKOS B022610AKOS MSC-0115TIMTEC-BB SBB0039442-Phenylcyclopropane-1-carboxylic acid 95+%1-Carboxy-2-phenylcyclopropane, (2-Carboxycycloprop-1-yl)benzene

rac trans-2-Phenylcyclopropanecarboxylic-d5 AcidOprea1_2554367V3W75X6M21-Carboxy-2-phenylcyclopropane107077-95-2rel-((1R,2R)-2-Phenylcyclopropanecarboxylic acid)2-Phenyl-1-cyclopropanecarboxylic acid, cis-(+/-)-Cambridge id 5100597

데이터베이스 식별자

CAS: 5685-38-1、939-89-9
PubChem CID: 70323
DTXSID: DTXSID80901142
EC Number: 675-510-5
Nikkaji: J81.078I

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: 89 · 89-90 °C(Solv: water (7732-18-5))
끓는 점: 317.1 · 317.1±31.0 °C(Predicted)
밀도: 1.25 · 1.250±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 4.57 · 4.57±0.10(Predicted)
색상: 하얀색
InChI: InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)
InChIKey: AHDDRJBFJBDEPW-UHFFFAOYSA-N
SMILES: C1(C(O)=O)CC1C1=CC=CC=C1

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.