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23461-67-8 | Pentanoic acid, 3,3-dimethyl-4-oxo-
CAS No: 23461-67-8 Catalog No: AG002NC3 MDL No:
Product Description
Catalog Number:
AG002NC3
Chemical Name:
Pentanoic acid, 3,3-dimethyl-4-oxo-
CAS Number:
23461-67-8
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
3,3-dimethyl-4-oxopentanoic acid
InChI:
InChI=1S/C7H12O3/c1-5(8)7(2,3)4-6(9)10/h4H2,1-3H3,(H,9,10)
InChI Key:
VPFSRPKZLWVLPX-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(=O)C)(C)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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