Name: Name:5-ethoxy-1-phenyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01ACU6
Rating: 90 (10 reviews)

5-ethoxy-1-phenyl-1H-pyrazole-4-carboxylic acid

CAS No.:

706819-85-4

Catalog Number:

AG01ACU6

Molecular Formula:

C12H12N2O3

Molecular Weight:

232.2353

Catalog Number:

AG01ACU6

Chemical Name:

5-ethoxy-1-phenyl-1H-pyrazole-4-carboxylic acid

CAS Number:

706819-85-4

Molecular Formula:

C12H12N2O3

Molecular Weight:

232.2353

MDL Number:

MFCD11131887

IUPAC Name:

5-ethoxy-1-phenylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C12H12N2O3/c1-2-17-11-10(12(15)16)8-13-14(11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16)

InChI Key:

YKPDDKHLNAMBOS-UHFFFAOYSA-N

SMILES:

CCOc1c(cnn1c1ccccc1)C(=O)O

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.239g/mol

Monoisotopic Mass:

232.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1