3-(4-Methylphenyl)isoxazole-4-carboxylic acid

HCID 58828797

기본 정보

표준 SMILES: Cc1ccc(-c2nocc2C(=O)O)cc1
InChIKey: RZKLIIBXFNPTSC-UHFFFAOYSA-N
분자식: C11H9NO3
평균 분자량: 203.19 g/mol

이름 및 식별자

우선 이름: 3-(4-Methylphenyl)isoxazole-4-carboxylic acid
IUPAC: 3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid

이름 및 동의어

839717-99-63-(4-methylphenyl)isoxazole-4-carboxylic acid3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acidSCHEMBL402939RZKLIIBXFNPTSC-UHFFFAOYSA-N3-p-tolyl-isoxazole-4-carboxylic acid3-(p-Tolyl)isoxazole-4-carboxylic acidDB-303893

데이터베이스 식별자

PubChem CID: 58828797

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 236

관련 반응

18건

반응 기록 만들기

HRID 110538반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 110930반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 300473반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 833639반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 956763반응물로Validation data from https://doi.org/10.1039/C8SC04228D

HRID 1128638반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1201827반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1446278반응물로uspto-grants-2010_02

연결된 노트

불러오는 중…