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119366-72-2 | 2-Oxocanone, 8-methyl-
CAS No: 119366-72-2 Catalog No: AG000INH MDL No:
Product Description
Catalog Number:
AG000INH
Chemical Name:
2-Oxocanone, 8-methyl-
CAS Number:
119366-72-2
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
8-methyloxocan-2-one
InChI:
InChI=1S/C8H14O2/c1-7-5-3-2-4-6-8(9)10-7/h7H,2-6H2,1H3
InChI Key:
NOGNGNMOBZCSSI-UHFFFAOYSA-N
SMILES:
CC1CCCCCC(=O)O1
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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