1-hydroxy-4,4-dimethyl-1-phenylpent-1-en-3-one

1-hydroxy-4,4-dimethyl-1-phenylpent-1-en-3-one

Formula: C13H16O2

SMILES: CC(C)(C)C(=O)C=C(O)C1=CC=CC=C1

IUPAC: 1-hydroxy-4,4-dimethyl-1-phenylpent-1-en-3-one

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

Composition: C (76.44%), H (7.90%), O (15.66%)

Molar Mass: 204.269

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.115029755
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IMFMWELGEZDYCF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.21
Topological Polar Surface Area	37.3
Polarizability	23.66
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H16O2		Quote Only