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14447-16-6 | Acetic acid, 2-cyano-, 1-methylpropyl ester
CAS No: 14447-16-6 Catalog No: AG001JM5 MDL No:
Product Description
Catalog Number:
AG001JM5
Chemical Name:
Acetic acid, 2-cyano-, 1-methylpropyl ester
CAS Number:
14447-16-6
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
butan-2-yl 2-cyanoacetate
InChI:
InChI=1S/C7H11NO2/c1-3-6(2)10-7(9)4-5-8/h6H,3-4H2,1-2H3
InChI Key:
IIVQCYBAMCISPI-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CC#N)CC
EC Number:
238-425-0
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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