Name: Name:Benzoic acid, 4-hydroxy-2-nitro-, methyl ester
Brand: Angene
SKU: AG0026A6
Rating: 90 (10 reviews)

Benzoic acid, 4-hydroxy-2-nitro-, methyl ester

CAS No.:

178758-50-4

Catalog Number:

AG0026A6

Molecular Formula:

C8H7NO5

Molecular Weight:

197.1449

Catalog Number:

AG0026A6

Chemical Name:

Benzoic acid, 4-hydroxy-2-nitro-, methyl ester

CAS Number:

178758-50-4

Molecular Formula:

C8H7NO5

Molecular Weight:

197.1449

MDL Number:

MFCD16620964

IUPAC Name:

methyl 4-hydroxy-2-nitrobenzoate

InChI:

InChI=1S/C8H7NO5/c1-14-8(11)6-3-2-5(10)4-7(6)9(12)13/h2-4,10H,1H3

InChI Key:

XLTVRPYIMBEWNP-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(cc1[N+](=O)[O-])O

Complexity:

236

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.146g/mol

Monoisotopic Mass:

197.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3