3-Benzyl-4-methylumbelliferone

HCID 5338538
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기본 정보

CAS
86-44-2
표준 SMILES
Cc1c(Cc2ccccc2)c(=O)oc2cc(O)ccc12
InChIKey
IDFOCEQDKOOOER-UHFFFAOYSA-N
분자식
C17H14O3
평균 분자량
266.29 g/mol
단동위원소 질량
266.09429431

이름 및 식별자

우선 이름
3-Benzyl-4-methylumbelliferone
IUPAC
3-benzyl-7-hydroxy-4-methylchromen-2-one
영어명
3-Benzyl-7-hydroxy-4-methyl-2H-chromen-2-one
분자식
C17H14O3
분자량
266.29

이름 및 동의어

86-44-23-Benzyl-4-methylumbelliferon3-Benzyl-4-methylumbelliferone2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-3-(phenylmethyl)-6UZY4BZ33H2H-Chromen-2-one, 3-benzyl-7-hydroxy-4-methyl-NSC-43673RefChem:10673803-Benzyl-7-hydroxy-4-methyl-2H-chromen-2-one3-Benzyl-7-hydroxy-4-methylcoumarinMFCD000476433-benzyl-7-hydroxy-4-methylchromen-2-one
이름 더 보기
7-hydroxy-4-methyl-3-(phenylmethyl)chromen-2-one7-hydroxy-4-methyl-3-(phenylmethyl)-2-chromenone3-Benzyl-7-hydroxy-4-methyl-2H-chromen-2-one, 7-Hydroxy-4-methyl-3-(phenylmethyl)-2H-1-benzopyran-2-one
3-Benzyl-4-methyl-7-hydroxycoumarinBenzyl .beta.-methylumbelliferone3-Benzyl-7-hydroxy-4-methyl-chromen-2-oneNSC43673Coumarin, 3-benzyl-7-hydroxy-4-methyl-CHEMBL5920422H-1-Benzopyran-2-one,7-hydroxy-4-methyl-3-(phenylmethyl)-NSC 43673

데이터베이스 식별자

CAS
86-44-2
PubChem CID
5338538
DTXSID
DTXSID5075361
ChEMBL
CHEMBL592042
UNII
6UZY4BZ33H
EC Number
166-205-3

물성

구조 계산 물성

XLogP
3.4
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
20

물리화학적 성질

EPA
3 · 3-Benzyl-4-methyl-7-hydroxycoumarin (86-44-2)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호
2932209088
위험 등급
IRRITANT

화학 및 산업

공급사7 곳

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]

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