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14447-15-5 | Acetic acid, 2-cyano-, propyl ester
CAS No: 14447-15-5 Catalog No: AG001JM6 MDL No:MFCD00015784
Product Description
Catalog Number:
AG001JM6
Chemical Name:
Acetic acid, 2-cyano-, propyl ester
CAS Number:
14447-15-5
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD00015784
IUPAC Name:
propyl 2-cyanoacetate
InChI:
InChI=1S/C6H9NO2/c1-2-5-9-6(8)3-4-7/h2-3,5H2,1H3
InChI Key:
NLFIMXLLXGTDME-UHFFFAOYSA-N
SMILES:
CCCOC(=O)CC#N
EC Number:
238-424-5
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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