(8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate
기본 정보
- CAS
54725-48-3- 표준 SMILES
CN1C2C=CC1CC(OC(=O)C(CO)c1ccccc1)C2- InChIKey
NZJZSPMNEYIORP-UHFFFAOYSA-N- 분자식
- C17H21NO3
- 평균 분자량
- 287.35 g/mol
이름 및 식별자
- 우선 이름
- (8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate
- 영어명
- 8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol α-(hydroxymethyl)benzeneacetate
- 분자식
- C17H21NO3
- 분자량
- 287.35
이름 및 동의어
(8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 3-hydroxy-2-phenylpropanoate61616-97-5SCHEMBL26046566NZJZSPMNEYIORP-UHFFFAOYSA-NLCA61697Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl esterBenzeneacetic acid, .alpha.-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl ester8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl tropate #(S)-(1R,3s,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl 3-hydroxy-2-phenylpropanoate54725-48-38-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol α-(hydroxymethyl)benzeneacetateBenzeneacetic acid, α-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl ester
데이터베이스 식별자
- CAS
54725-48-3- Nikkaji
- J143.406C
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 387
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