Name: Name:4-(carboxymethoxy)-1-phenyl-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01A3FV
Rating: 90 (10 reviews)

4-(carboxymethoxy)-1-phenyl-1H-pyrazole-3-carboxylic acid

CAS No.:

1423026-99-6

Catalog Number:

AG01A3FV

Molecular Formula:

C12H10N2O5

Molecular Weight:

262.2182

Catalog Number:

AG01A3FV

Chemical Name:

4-(carboxymethoxy)-1-phenyl-1H-pyrazole-3-carboxylic acid

CAS Number:

1423026-99-6

Molecular Formula:

C12H10N2O5

Molecular Weight:

262.2182

MDL Number:

MFCD22741271

IUPAC Name:

4-(carboxymethoxy)-1-phenylpyrazole-3-carboxylic acid

InChI:

InChI=1S/C12H10N2O5/c15-10(16)7-19-9-6-14(13-11(9)12(17)18)8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16)(H,17,18)

InChI Key:

WYBCLGBJJXQTPA-UHFFFAOYSA-N

SMILES:

OC(=O)COc1cn(nc1C(=O)O)c1ccccc1

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.221g/mol

Monoisotopic Mass:

262.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3