Home Other Building Blocks Heptanoic acid, 7-cyano-, methyl ester

Heptanoic acid, 7-cyano-, methyl ester

CAS No.:
61831-05-8
Catalog Number:
AG01DX8K
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
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Product Description
Catalog Number:
AG01DX8K
Chemical Name:
Heptanoic acid, 7-cyano-, methyl ester
CAS Number:
61831-05-8
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
methyl 7-cyanoheptanoate
InChI:
InChI=1S/C9H15NO2/c1-12-9(11)7-5-3-2-4-6-8-10/h2-7H2,1H3
InChI Key:
RORLVLFXYLXWOM-UHFFFAOYSA-N
SMILES:
N#CCCCCCCC(=O)OC
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties