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

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

CAS: 63740-97-6

Formula: C11H12O3

SMILES: CCCC(=O)C1=CC2=C(OCO2)C=C1

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

InChI: InChI=1S/C11H12O3/c1-2-3-9(12)8-4-5-10-11(6-8)14-7-13-10/h4-6H,2-3,7H2,1H3

Composition: C (68.74%), H (6.29%), O (24.97%)

Molar Mass: 192.214

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.078644246
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VHOZZIUFGVJOEL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.46
Topological Polar Surface Area	35.53
Polarizability	20.22
Ring Count	2
Rotatable Bond Count	3

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