Name: Name:3-(methoxycarbonyl)-1-phenyl-1H-pyrazole-5-carboxylic acid
Brand: Angene
SKU: AG01AAFC
Rating: 90 (10 reviews)

3-(methoxycarbonyl)-1-phenyl-1H-pyrazole-5-carboxylic acid

CAS No.:

1258650-37-1

Catalog Number:

AG01AAFC

Molecular Formula:

C12H10N2O4

Molecular Weight:

246.2188

Catalog Number:

AG01AAFC

Chemical Name:

3-(methoxycarbonyl)-1-phenyl-1H-pyrazole-5-carboxylic acid

CAS Number:

1258650-37-1

Molecular Formula:

C12H10N2O4

Molecular Weight:

246.2188

MDL Number:

MFCD17167170

IUPAC Name:

5-methoxycarbonyl-2-phenylpyrazole-3-carboxylic acid

InChI:

InChI=1S/C12H10N2O4/c1-18-12(17)9-7-10(11(15)16)14(13-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16)

InChI Key:

SLJTZTNLUWMGGP-UHFFFAOYSA-N

SMILES:

COC(=O)c1nn(c(c1)C(=O)O)c1ccccc1

Complexity:

328

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.222g/mol

Monoisotopic Mass:

246.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9