Name: Name:Benzoic acid, 2-formyl-3-hydroxy-, methyl ester
Brand: Angene
SKU: AG000ZBS
Rating: 90 (10 reviews)

Benzoic acid, 2-formyl-3-hydroxy-, methyl ester

CAS No.:

131524-43-1

Catalog Number:

AG000ZBS

Molecular Formula:

C9H8O4

Molecular Weight:

180.1574

Catalog Number:

AG000ZBS

Chemical Name:

Benzoic acid, 2-formyl-3-hydroxy-, methyl ester

CAS Number:

131524-43-1

Molecular Formula:

C9H8O4

Molecular Weight:

180.1574

MDL Number:

MFCD22665932

IUPAC Name:

methyl 2-formyl-3-hydroxybenzoate

InChI:

InChI=1S/C9H8O4/c1-13-9(12)6-3-2-4-8(11)7(6)5-10/h2-5,11H,1H3

InChI Key:

HFDRLLQFITZSMY-UHFFFAOYSA-N

SMILES:

COC(=O)c1cccc(c1C=O)O

Complexity:

202

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.159g/mol

Monoisotopic Mass:

180.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4