C1=CC=C(C=C1)C(C#N)OC=O
이름: [cyano(phenyl)methyl] formate
SMILES: C1=CC=C(C=C1)C(C#N)OC=O

Molecular Processing

Molecular formula
C9H7NO2
Molecular weight
161.16
Exact mass
161.0477
XLogP
1.42
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
41.95

Supplementary Information

InChIKey: AIFJZMGNHNREOD-UHFFFAOYSA-N
동의어
cyanobenzyl formateSCHEMBL1129880SCHEMBL6518543AIFJZMGNHNREOD-UHFFFAOYSA-N
출처 보기 →
2개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→