Name: Name:4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoic acid
Brand: Angene
SKU: AG01BXI0
Rating: 90 (10 reviews)

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoic acid

CAS No.:

1018054-02-8

Catalog Number:

AG01BXI0

Molecular Formula:

C13H16O4

Molecular Weight:

236.2637

Catalog Number:

AG01BXI0

Chemical Name:

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoic acid

CAS Number:

1018054-02-8

Molecular Formula:

C13H16O4

Molecular Weight:

236.2637

MDL Number:

MFCD09881140

IUPAC Name:

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoic acid

InChI:

InChI=1S/C13H16O4/c14-13(15)4-1-3-10-5-6-11-12(9-10)17-8-2-7-16-11/h5-6,9H,1-4,7-8H2,(H,14,15)

InChI Key:

IIHOORNILCTRKW-UHFFFAOYSA-N

SMILES:

OC(=O)CCCc1ccc2c(c1)OCCCO2

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.267g/mol

Monoisotopic Mass:

236.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3