200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 167760-72-7
167760-72-7 | 1-Butanone, 2,2-dimethyl-1-(4-methylphenyl)-
CAS No: 167760-72-7 Catalog No: AG001XKR MDL No:MFCD03841118
Product Description
Catalog Number:
AG001XKR
Chemical Name:
1-Butanone, 2,2-dimethyl-1-(4-methylphenyl)-
CAS Number:
167760-72-7
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
MDL Number:
MFCD03841118
IUPAC Name:
2,2-dimethyl-1-(4-methylphenyl)butan-1-one
InChI:
InChI=1S/C13H18O/c1-5-13(3,4)12(14)11-8-6-10(2)7-9-11/h6-9H,5H2,1-4H3
InChI Key:
MKMWDDZSCAQSOQ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccc(cc1)C)(C)C
Properties
Complexity:
197
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.