COC(=O)C(C#N)C1=CC=CC=C1
CAS: 30698-30-7
名称: methyl 2-cyano-2-phenylacetate
SMILES: COC(=O)C(C#N)C1=CC=CC=C1

Molecular Processing

Molecular formula
C10H9NO2
Molecular weight
175.19
Exact mass
175.0633
XLogP
1.47
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
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
0.2
Molar refractivity
46.81

Supplementary Information

InChIKey: VVAHBRVAXFGEPI-UHFFFAOYSA-N
同義語
methyl 2-cyano-2-phenylacetate30698-30-7MFCD19313612Methyl 2-cyano-2-phenyl-acetatemethyl cyano(phenyl)acetateSCHEMBL8686326FBA69830AKOS000446947AKOS017510826AS-60317DB-091671CS-0217769EN300-84079W18601benzeneacetic acid, .alpha.-cyano-, methyl ester
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