Name: Name:1,3-Pentanedione, 4,4-dimethyl-1-phenyl-
Brand: Angene
SKU: AG001BRD
Rating: 90 (10 reviews)

1,3-Pentanedione, 4,4-dimethyl-1-phenyl-

CAS No.:

13988-67-5

Catalog Number:

AG001BRD

Molecular Formula:

C13H16O2

Molecular Weight:

204.2649

Catalog Number:

AG001BRD

Chemical Name:

1,3-Pentanedione, 4,4-dimethyl-1-phenyl-

CAS Number:

13988-67-5

Molecular Formula:

C13H16O2

Molecular Weight:

204.2649

MDL Number:

MFCD00511275

IUPAC Name:

4,4-dimethyl-1-phenylpentane-1,3-dione

InChI:

InChI=1S/C13H16O2/c1-13(2,3)12(15)9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3

InChI Key:

HORVLKADAZQYRS-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1)CC(=O)C(C)(C)C

Complexity:

242

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.269g/mol

Monoisotopic Mass:

204.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9