(2Z)-3-(2-cyanophenyl)prop-2-enoic acid

HCID 1899166CAS 27510-48-1

기본 정보

표준 SMILES: N#Cc1ccccc1/C=C\C(=O)O
InChIKey: HQVOPXGNHGTKOD-WAYWQWQTSA-N
분자식: C10H7NO2
평균 분자량: 173.17 g/mol
단동위원소 질량: 173.04767847

이름 및 식별자

우선 이름: (2Z)-3-(2-cyanophenyl)prop-2-enoic acid
IUPAC: (Z)-3-(2-cyanophenyl)prop-2-enoic acid

이름 및 동의어

(2Z)-3-(2-CYANOPHENYL)PROP-2-ENOIC ACIDRefChem:399140999-895-7(Z)-3-(2-cyanophenyl)prop-2-enoic acid(Z)-3-(2-Cyanophenyl)acrylic acidcis-o-cyanocinnamic acidSCHEMBL448705HQVOPXGNHGTKOD-WAYWQWQTSA-NEN300-304572G34173(2Z)-3-(2-CYANOPHENYL)PROP-2-ENOICACID

데이터베이스 식별자

CAS: 27510-48-1
PubChem CID: 1899166
EC Number: 999-895-7

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 61.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 261

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.