C1=CC=C(C=C1)COC(=O)CC#N
CAS: 14447-18-8
Name: benzyl 2-cyanoacetate
SMILES: C1=CC=C(C=C1)COC(=O)CC#N

Molecular Processing

Molecular formula
C10H9NO2
Molecular weight
175.19
Exact mass
175.0633
XLogP
1.64
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
46.47

Supplementary Information

InChIKey: RCUIWQWWDLZNMS-UHFFFAOYSA-N
Synonyme
benzyl 2-cyanoacetateRefChem:566600626-642-7Benzyl cyanoacetate14447-18-8Acetic acid, 2-cyano-, phenylmethyl esterAcetic acid, cyano-, phenylmethyl esterMFCD00051719Cyanoacetic acid benzyl esterAcetic acid, cyano-, benzyl esterBenzyl cyanoacetate, 97%phenylmethyl 2-cyanoacetateSCHEMBL187996Cyano-acetic acid benzyl esterBenzyl ester of cyanoacetic acidDTXSID70340021PAA44718TD1026AKOS015908472PS-4116DB-124555CS-0148613ST50407950EN300-96536F094535
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