Name: Name:3-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)propanoic acid
Brand: Angene
SKU: AG01B1Z8
Rating: 90 (10 reviews)

3-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)propanoic acid

CAS No.:

1519455-25-4

Catalog Number:

AG01B1Z8

Molecular Formula:

C10H8F2O4

Molecular Weight:

230.1649

Catalog Number:

AG01B1Z8

Chemical Name:

3-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)propanoic acid

CAS Number:

1519455-25-4

Molecular Formula:

C10H8F2O4

Molecular Weight:

230.1649

MDL Number:

MFCD29907250

IUPAC Name:

3-(2,2-difluoro-1,3-benzodioxol-5-yl)propanoic acid

InChI:

InChI=1S/C10H8F2O4/c11-10(12)15-7-3-1-6(2-4-9(13)14)5-8(7)16-10/h1,3,5H,2,4H2,(H,13,14)

InChI Key:

MQYASWNSYMYWRG-UHFFFAOYSA-N

SMILES:

OC(=O)CCc1ccc2c(c1)OC(O2)(F)F

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.167g/mol

Monoisotopic Mass:

230.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3