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19594-40-2 | 2-METHYL-4-UNDECANONE
CAS No: 19594-40-2 Catalog No: AG003HNH MDL No:MFCD00027319
Product Description
Catalog Number:
AG003HNH
Chemical Name:
2-METHYL-4-UNDECANONE
CAS Number:
19594-40-2
Molecular Formula:
C12H24O
Molecular Weight:
184.3184
MDL Number:
MFCD00027319
IUPAC Name:
2-methylundecan-4-one
InChI:
InChI=1S/C12H24O/c1-4-5-6-7-8-9-12(13)10-11(2)3/h11H,4-10H2,1-3H3
InChI Key:
IEBAJFDSHJYDCK-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)CC(C)C
EC Number:
243-176-6
UNII:
LN53YFA9O0
NSC Number:
60572
Properties
Complexity:
127
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:
8
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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