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19823-28-0 | Hexanoic acid, 2-cyano-3-methyl-, ethyl ester
CAS No: 19823-28-0 Catalog No: AG002BDY MDL No:MFCD00799272
Product Description
Catalog Number:
AG002BDY
Chemical Name:
Hexanoic acid, 2-cyano-3-methyl-, ethyl ester
CAS Number:
19823-28-0
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
MDL Number:
MFCD00799272
IUPAC Name:
ethyl 2-cyano-3-methylhexanoate
InChI:
InChI=1S/C10H17NO2/c1-4-6-8(3)9(7-11)10(12)13-5-2/h8-9H,4-6H2,1-3H3
InChI Key:
FIJVOSSCAUGKQY-UHFFFAOYSA-N
SMILES:
CCCC(C(C(=O)OCC)C#N)C
EC Number:
243-352-2
NSC Number:
46918
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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