2',3'-Dimethoxycinnamic acid

HCID 735842

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 7345-82-6
표준 SMILES: COc1cccc(/C=C/C(=O)O)c1OC
InChIKey: QAXPUWGAGVERSJ-VOTSOKGWSA-N
분자식: C11H12O4
평균 분자량: 208.21 g/mol
단동위원소 질량: 208.07355886

이름 및 식별자

우선 이름: 2',3'-Dimethoxycinnamic acid
IUPAC: (E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
영어명: trans-2,3-Dimethoxycinnamic acid
분자식: C11H12O4
분자량: 208.21

이름 및 동의어

trans-2,3-Dimethoxycinnamic acid2',3'-Dimethoxycinnamic acidEINECS 231-249-5NSC 235795NSC 403612RefChem:439377231-249-5679-802-37345-82-67461-60-12,3-Dimethoxycinnamic acid(E)-3-(2,3-Dimethoxyphenyl)acrylic acid

이름 더 보기

RARECHEM BK HC T254LABOTEST-BB LT00452956DIMETHOXYCINNAMIC-2,3 ACIDrans-2,3-Dimethoxycinnamicaci(E)-2,3-DIMETHOXYCINNAMIC ACIDtrans-2,3-DimethoxycinnamicAcid>3-(2,3-DIMETHOXYPHENYL)ACRYLIC ACIDtrans2,3-dimethoxycinnamic acid-97%

(E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid3-(2,3-dimethoxyphenyl)acrylic acid(2E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acidMFCD00004376(2E)-3-(2,3-dimethoxyphenyl)acrylic acid2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-3-(2,3-dimethoxyphenyl)-2-propenoic acid(E)-3-(2,3-dimethoxy-phenyl)-acrylic acid

데이터베이스 식별자

CAS: 7345-82-6、7461-60-1
PubChem CID: 735842
DTXSID: DTXSID10994204
EC Number: 231-249-5、679-802-3
Nikkaji: J278.864K、J505.005G

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 237

실험 및 물리화학적 성질

Kovats Retention Index1818.8

물리화학적 성질

녹는점: 182 · 182-184 °C(lit.)
끓는 점: 351.6 · 351.6±27.0 °C(Predicted)
밀도: 1.203 · 1.203±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.4 · 4.40±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 2695122 · 2695122
NIST: 2 · 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, (e)-(7345-82-6)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.