Name: Name:1,3-Benzodioxole-5-carboxylic acid, 7-hydroxy-, methyl ester
Brand: Angene
SKU: AG000BP5
Rating: 90 (10 reviews)

1,3-Benzodioxole-5-carboxylic acid, 7-hydroxy-, methyl ester

CAS No.:

116119-01-8

Catalog Number:

AG000BP5

Molecular Formula:

C9H8O5

Molecular Weight:

196.1568

Catalog Number:

AG000BP5

Chemical Name:

1,3-Benzodioxole-5-carboxylic acid, 7-hydroxy-, methyl ester

CAS Number:

116119-01-8

Molecular Formula:

C9H8O5

Molecular Weight:

196.1568

MDL Number:

MFCD22123663

IUPAC Name:

methyl 7-hydroxy-1,3-benzodioxole-5-carboxylate

InChI:

InChI=1S/C9H8O5/c1-12-9(11)5-2-6(10)8-7(3-5)13-4-14-8/h2-3,10H,4H2,1H3

InChI Key:

ZHGPEDRDUUKPCF-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(O)c2c(c1)OCO2

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.158g/mol

Monoisotopic Mass:

196.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2