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113630-20-9 | Hexanone, 1-(methylphenyl)- (9CI)
CAS No: 113630-20-9 Catalog No: AG00096W MDL No:
Product Description
Catalog Number:
AG00096W
Chemical Name:
Hexanone, 1-(methylphenyl)- (9CI)
CAS Number:
113630-20-9
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
1-(2-methylphenyl)hexan-1-one
InChI:
InChI=1S/C13H18O/c1-3-4-5-10-13(14)12-9-7-6-8-11(12)2/h6-9H,3-5,10H2,1-2H3
InChI Key:
NTXYYQUXNBQSIQ-UHFFFAOYSA-N
SMILES:
CCCCC(=O)Cc1ccccc1C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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