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71735-23-4 | Pentanoic acid,2-cyano-2-ethyl-3-methyl-, methyl ester
CAS No: 71735-23-4 Catalog No: AG005FMH MDL No:
Product Description
Catalog Number:
AG005FMH
Chemical Name:
Pentanoic acid,2-cyano-2-ethyl-3-methyl-, methyl ester
CAS Number:
71735-23-4
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
methyl 2-cyano-2-ethyl-3-methylpentanoate
InChI:
InChI=1S/C10H17NO2/c1-5-8(3)10(6-2,7-11)9(12)13-4/h8H,5-6H2,1-4H3
InChI Key:
ACADKHGAMCGGHY-UHFFFAOYSA-N
SMILES:
CCC(C(C(=O)OC)(C#N)CC)C
EC Number:
275-935-2
Properties
Complexity:
228
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:
5
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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