Name: Name:4-[4-(ethoxycarbonyl)-5-methyl-1H-pyrazol-1-yl]benzoic acid
Brand: Angene
SKU: AG019MG4
Rating: 90 (10 reviews)

4-[4-(ethoxycarbonyl)-5-methyl-1H-pyrazol-1-yl]benzoic acid

CAS No.:

877675-70-2

Catalog Number:

AG019MG4

Molecular Formula:

C14H14N2O4

Molecular Weight:

274.2720

Catalog Number:

AG019MG4

Chemical Name:

4-[4-(ethoxycarbonyl)-5-methyl-1H-pyrazol-1-yl]benzoic acid

CAS Number:

877675-70-2

Molecular Formula:

C14H14N2O4

Molecular Weight:

274.2720

MDL Number:

MFCD09043213

IUPAC Name:

4-(4-ethoxycarbonyl-5-methylpyrazol-1-yl)benzoic acid

InChI:

InChI=1S/C14H14N2O4/c1-3-20-14(19)12-8-15-16(9(12)2)11-6-4-10(5-7-11)13(17)18/h4-8H,3H2,1-2H3,(H,17,18)

InChI Key:

VMHFVWNBYSYVMF-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnn(c1C)c1ccc(cc1)C(=O)O

Complexity:

366

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.276g/mol

Monoisotopic Mass:

274.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: