3-(2H-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one

3-(2H-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one

Formula: C16H12O3

SMILES: O=C(C=CC1=CC2=C(OCO2)C=C1)C1=CC=CC=C1

IUPAC: 3-(2H-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one

InChI: InChI=1S/C16H12O3/c17-14(13-4-2-1-3-5-13)8-6-12-7-9-15-16(10-12)19-11-18-15/h1-10H,11H2

Composition: C (76.18%), H (4.79%), O (19.03%)

Molar Mass: 252.269

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	252.078644246
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ATKADZVINWFQOE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.64
Topological Polar Surface Area	35.53
Polarizability	27.72
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<14 Days	C16H12O3		Quote Only