Name: Name:1-(benzo[d][1,3]dioxol-5-yl)pentan-1-one
Brand: Angene
SKU: AG00ECK6
Rating: 90 (10 reviews)

1-(benzo[d][1,3]dioxol-5-yl)pentan-1-one

CAS No.:

63740-98-7

Catalog Number:

AG00ECK6

Molecular Formula:

C12H14O3

Molecular Weight:

206.2378

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Product Description

Catalog Number:

AG00ECK6

Chemical Name:

1-(benzo[d][1,3]dioxol-5-yl)pentan-1-one

CAS Number:

63740-98-7

Molecular Formula:

C12H14O3

Molecular Weight:

206.2378

MDL Number:

MFCD09998839

IUPAC Name:

1-(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

InChI Key:

VSLRIRGQCOPULE-UHFFFAOYSA-N

SMILES:

CCCCC(=O)c1ccc2c(c1)OCO2

Properties

Complexity:

227

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.241g/mol

Monoisotopic Mass:

206.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
1-(1,3-Benzodioxol-5-yl)pentan-1-one.	Acta crystallographica. Section E, Structure reports online 20090101

Properties