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17592-25-5 | Hexanoic acid, 6-cyano-, methyl ester
CAS No: 17592-25-5 Catalog No: AG0021B2 MDL No:
Product Description
Catalog Number:
AG0021B2
Chemical Name:
Hexanoic acid, 6-cyano-, methyl ester
CAS Number:
17592-25-5
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
methyl 6-cyanohexanoate
InChI:
InChI=1S/C8H13NO2/c1-11-8(10)6-4-2-3-5-7-9/h2-6H2,1H3
InChI Key:
GQFYOUFBNQTCHT-UHFFFAOYSA-N
SMILES:
N#CCCCCCC(=O)OC
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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