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

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

CAS: 63740-98-7

Formula: C12H14O3

SMILES: CCCCC(=O)C1=CC=C2OCOC2=C1

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

InChI: InChI=1S/C12H14O3/c1-2-3-4-10(13)9-5-6-11-12(7-9)15-8-14-11/h5-7H,2-4,8H2,1H3

Composition: C (69.89%), H (6.84%), O (23.27%)

Molar Mass: 206.241

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	206.094294311
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VSLRIRGQCOPULE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.06
Topological Polar Surface Area	35.53
Polarizability	22.05
Ring Count	2
Rotatable Bond Count	4

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