Name: Name:3-Cyclopentapyrazolecarboxylicacid, 1,4,5,6-tetrahydro-1-phenyl-
Brand: Angene
SKU: AG006SEW
Rating: 90 (10 reviews)

3-Cyclopentapyrazolecarboxylicacid, 1,4,5,6-tetrahydro-1-phenyl-

CAS No.:

96197-36-3

Catalog Number:

AG006SEW

Molecular Formula:

C13H12N2O2

Molecular Weight:

228.2466

Catalog Number:

AG006SEW

Chemical Name:

3-Cyclopentapyrazolecarboxylicacid, 1,4,5,6-tetrahydro-1-phenyl-

CAS Number:

96197-36-3

Molecular Formula:

C13H12N2O2

Molecular Weight:

228.2466

MDL Number:

MFCD08444490

IUPAC Name:

1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

InChI:

InChI=1S/C13H12N2O2/c16-13(17)12-10-7-4-8-11(10)15(14-12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,16,17)

InChI Key:

GLJYJHLGZYJNJK-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(c2c1CCC2)c1ccccc1

Complexity:

302

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.251g/mol

Monoisotopic Mass:

228.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4