Name: Name:4-[(4-METHYL-1H-PYRAZOL-1-YL)METHYL]BENZOIC ACID
Brand: Angene
SKU: AG01EKB4
Rating: 90 (10 reviews)

4-[(4-METHYL-1H-PYRAZOL-1-YL)METHYL]BENZOIC ACID

CAS No.:

1119391-16-0

Catalog Number:

AG01EKB4

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

Catalog Number:

AG01EKB4

Chemical Name:

4-[(4-METHYL-1H-PYRAZOL-1-YL)METHYL]BENZOIC ACID

CAS Number:

1119391-16-0

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

MDL Number:

MFCD12030920

IUPAC Name:

4-[(4-methylpyrazol-1-yl)methyl]benzoic acid

InChI:

InChI=1S/C12H12N2O2/c1-9-6-13-14(7-9)8-10-2-4-11(5-3-10)12(15)16/h2-7H,8H2,1H3,(H,15,16)

InChI Key:

DWASYAJWEIJMHH-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)Cn1ncc(c1)C

Complexity:

249

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.24g/mol

Monoisotopic Mass:

216.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7