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88319-38-4 | Pentanoic acid, 2-cyano-4,4-dimethyl-
CAS No: 88319-38-4 Catalog No: AG0048GP MDL No:MFCD20642867
Product Description
Catalog Number:
AG0048GP
Chemical Name:
Pentanoic acid, 2-cyano-4,4-dimethyl-
CAS Number:
88319-38-4
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD20642867
IUPAC Name:
2-cyano-4,4-dimethylpentanoic acid
InChI:
InChI=1S/C8H13NO2/c1-8(2,3)4-6(5-9)7(10)11/h6H,4H2,1-3H3,(H,10,11)
InChI Key:
MHOCYJBBUJRIRP-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)O)CC(C)(C)C
Properties
Complexity:
194
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:
1
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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