CAS 103788-64-3 Methyl (5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate (HCID 2775318)

기본 정보

CAS: 103788-64-3
표준 SMILES: COC(=O)Cc1nc(-c2ccccc2)oc1C
InChIKey: UDWQWRFEUXUBHR-UHFFFAOYSA-N
분자식: C13H13NO3
평균 분자량: 231.25 g/mol
단동위원소 질량: 231.08954328

이름 및 식별자

우선 이름: Methyl (5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
IUPAC: methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
영어명: METHYL 2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ACETATE
분자식: C13H13NO3
분자량: 231.25

이름 및 동의어

103788-64-3Methyl (5-methyl-2-phenyl-1,3-oxazol-4-yl)acetateDTXSID00379521RefChem:353101DTXCID10330547methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetatemethyl 2-(5-methyl-2-phenyloxazol-4-yl)acetateMFCD00203858Methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-acetate4-Oxazoleacetic acid, 5-methyl-2-phenyl-, methyl esterMaybridge3_000561methyl 2-(5-methyl-2-phenyl-oxazol-4-yl)acetate

이름 더 보기

BUTTPARK 37\06-79METHYL (5-METHYL-2-PHENYLOXAZOL-4-YL)ACETATEMethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-Methyl-2-(5-methyl-2-phenyloxazol-4-yl)acetate(5-Methyl-2-phenyloxazol-4-yl)acetic acid methyl ester2-[5-Methyl-2-phenyl-1,3-oxazol-4-yl]acetic acid Methyl ester

SCHEMBL2930640UDWQWRFEUXUBHR-UHFFFAOYSA-NHMS1432J11CCG-52444SBB097756AKOS005146327IDI1_011948AS-68810

데이터베이스 식별자

CAS: 103788-64-3
PubChem CID: 2775318
DTXSID: DTXSID00379521
EC Number: 673-135-1

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 263

물리화학적 성질

끓는 점: 357.3 · 357.3±34.0 °C(Predicted)
밀도: 1.157 · 1.157
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 0.37 · 0.37±0.26(Predicted)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.