3-Methyl-5-(3-methylphenyl)-1,2-oxazole-4-carboxylic acid
기본 정보
- CAS
354222-12-1- 표준 SMILES
Cc1cccc(-c2onc(C)c2C(=O)O)c1- InChIKey
SEZVOPBKPNUWQV-UHFFFAOYSA-N- 분자식
- C12H11NO3
- 평균 분자량
- 217.22 g/mol
- 단동위원소 질량
- 217.07389321
이름 및 식별자
- 우선 이름
- 3-Methyl-5-(3-methylphenyl)-1,2-oxazole-4-carboxylic acid
- IUPAC
- 3-methyl-5-(3-methylphenyl)-1,2-oxazole-4-carboxylic acid
- 영어명
- 4-Isoxazolecarboxylicacid,3-methyl-5-(3-methylphenyl)-(9CI)
- 분자식
- C12H11NO3
- 분자량
- 217.22064
이름 및 동의어
354222-12-13-Methyl-5-(m-tolyl)isoxazole-4-carboxylic acid4-Isoxazolecarboxylicacid,3-methyl-5-(3-methylphenyl)-(9CI)3-Methyl-5-(3-methylphenyl)-1,2-oxazole-4-carboxylic acidSCHEMBL4032450DTXSID30624253SEZVOPBKPNUWQV-UHFFFAOYSA-NSBB077033DB-2837723-methyl-5-(3-methylphenyl)-4-isoxazole carboxylic acid3-methyl-5-(3-methylphenyl)isoxazole-4-carboxylic acid4-ISOXAZOLECARBOXYLIC ACID, 3-METHYL-5-(3-METHYLPHENYL)-
데이터베이스 식별자
- CAS
354222-12-1- PubChem CID
- 22279514
- DTXSID
DTXSID30624253
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 63.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 269
관련 반응
2건
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