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89238-13-1 | 2-Nonanone, 4,4-dimethyl-
CAS No: 89238-13-1 Catalog No: AG0044FR MDL No:
Product Description
Catalog Number:
AG0044FR
Chemical Name:
2-Nonanone, 4,4-dimethyl-
CAS Number:
89238-13-1
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
4,4-dimethylnonan-2-one
InChI:
InChI=1S/C11H22O/c1-5-6-7-8-11(3,4)9-10(2)12/h5-9H2,1-4H3
InChI Key:
VUNYXOOLSAEATF-UHFFFAOYSA-N
SMILES:
CCCCCC(CC(=O)C)(C)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.167g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.296g/mol
Monoisotopic Mass:
170.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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