200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13705-37-8
13705-37-8 | 2-Butanone, 3,3-dimethyl-4-phenyl-
CAS No: 13705-37-8 Catalog No: AG0012RX MDL No:
Product Description
Catalog Number:
AG0012RX
Chemical Name:
2-Butanone, 3,3-dimethyl-4-phenyl-
CAS Number:
13705-37-8
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
3,3-dimethyl-4-phenylbutan-2-one
InChI:
InChI=1S/C12H16O/c1-10(13)12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChI Key:
UBNAVIPKORDBNB-UHFFFAOYSA-N
SMILES:
CC(=O)C(Cc1ccccc1)(C)C
EC Number:
237-240-2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.