Name: Name:3-(7-chloro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid
Brand: Angene
SKU: AG019O59
Rating: 90 (10 reviews)

3-(7-chloro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid

CAS No.:

1633931-69-7

Catalog Number:

AG019O59

Molecular Formula:

C10H7ClO4

Molecular Weight:

226.6132

Catalog Number:

AG019O59

Chemical Name:

3-(7-chloro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid

CAS Number:

1633931-69-7

Molecular Formula:

C10H7ClO4

Molecular Weight:

226.6132

MDL Number:

MFCD06655516

IUPAC Name:

3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoic acid

InChI:

InChI=1S/C10H7ClO4/c11-7-3-6(1-2-9(12)13)4-8-10(7)15-5-14-8/h1-4H,5H2,(H,12,13)

InChI Key:

JVQAFDBYQZAWNY-UHFFFAOYSA-N

SMILES:

OC(=O)C=Cc1cc(Cl)c2c(c1)OCO2

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.003g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.612g/mol

Monoisotopic Mass:

226.003g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3