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123-18-2 | 4-Nonanone, 2,6,8-trimethyl-
CAS No: 123-18-2 Catalog No: AG000JWH MDL No:MFCD00048361
Product Description
Catalog Number:
AG000JWH
Chemical Name:
4-Nonanone, 2,6,8-trimethyl-
CAS Number:
123-18-2
Molecular Formula:
C12H24O
Molecular Weight:
184.3184
MDL Number:
MFCD00048361
IUPAC Name:
2,6,8-trimethylnonan-4-one
InChI:
InChI=1S/C12H24O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-11H,6-8H2,1-5H3
InChI Key:
GFWVDQCGGDBTBS-UHFFFAOYSA-N
SMILES:
CC(CC(CC(=O)CC(C)C)C)C
EC Number:
204-607-3
NSC Number:
66186
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.183g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.323g/mol
Monoisotopic Mass:
184.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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