3-(4-메톡시-페닐)-2-페닐-프로피온산

3-(4-Methoxyphenyl)-2-phenylpropionic acid

HCID 97739CAS 4314-68-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(CC(C(=O)O)c2ccccc2)cc1
InChIKey: GIROORGDVPRQFZ-UHFFFAOYSA-N
분자식: C16H16O3
평균 분자량: 256.3 g/mol
단동위원소 질량: 256.10994437

이름 및 식별자

우선 이름: 3-(4-Methoxyphenyl)-2-phenylpropionic acid
IUPAC: 3-(4-methoxyphenyl)-2-phenylpropanoic acid
현지명: 3-(4-메톡시-페닐)-2-페닐-프로피온산
영어명: 3-(4-Methoxy-phenyl)-2-phenyl-propionic acid
분자식: C16H16O3
분자량: 256.3

이름 및 동의어

3-(4-Methoxyphenyl)-2-phenylpropionic acidEINECS 224-332-2NSC 33136RefChem:493233224-332-24314-68-53-(4-methoxyphenyl)-2-phenylpropanoic acid3-(4-Methoxy-phenyl)-2-phenyl-propionic acidMFCD00046532CHEMBL839493-(4-Methoxyphenyl)-2-phenyl-propanoic acidNSC33136

이름 더 보기

3-(4-메톡시-페닐)-2-페닐-프로피온산P-METHOXY-A-PHENYLHYDROCINNAMIC ACID4-Methoxy-α-phenylbenzenepropanoic acid3-(P-METHOXYPHENYL)-2-PHENYLPROPIONIC ACIDBenzenepropanoic acid, 4-Methoxy-α-phenyl-

F9995-0092SCHEMBL1716396DTXSID901278934HMS1683O03ALBB-000211BDBM50145806NSC-33136SBB046326

데이터베이스 식별자

CAS: 4314-68-5
PubChem CID: 97739
DTXSID: DTXSID901278934
ChEMBL: CHEMBL83949
EC Number: 224-332-2
Nikkaji: J205.698D

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 276

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.