AG000AL5

1141-70-4 | 1H-Pyrazole-5-carboxylic acid, 3-methyl-1-(phenylmethyl)-

AG000AL5

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1141-70-4
Catalog Number	AG000AL5(AGN-PC-0JLN99)
Chemical Name	1H-Pyrazole-5-carboxylic acid, 3-methyl-1-(phenylmethyl)-
IUPAC Name	2-benzyl-5-methylpyrazole-3-carboxylic acid
InChI	InChI=1S/C12H12N2O2/c1-9-7-11(12(15)16)14(13-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
InChI Key	JJADNHRPPVETTB-UHFFFAOYSA-N
MDL Number	MFCD01693537
Molecular Formula	C12H12N2O2
Molecular Weight	216.2359
SMILES	C(C1=CC=CC=C1)N1N=C(C=C1C(=O)O)C
Synonyms	1-Benzyl-3-methyl-1H-pyrazole-5-carboxylic acid, 1141-70-4, BRN 0200280, Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-, 1-Benzyl-3-methylpyrazole-5-carboxylic acid, 1H-Pyrazole-5-carboxylicacid, 3-methyl-1-(phenylmethyl)-, AC1L3RYM, 1-Benzyl-3-methyl-5-pyrazolecarboxylic acid, 5-25-04-00121 (Beilstein Handbook Reference), SCHEMBL5178107, CTK0H8484, DTXSID00150655, KS-00001PL9, ZINC6070175, 4666AH, MFCD01693537, AKOS022541212, KS-9062, LS-128284, 2-benzyl-5-methylpyrazole-3-carboxylic acid, A-8248, J-003057, 1-Benzyl-3-methyl-1H-pyrazole-5-carboxylic acid, 97%, 1H-Pyrazole-5-carboxylic acid, 3-methyl-1-(phenylmethyl)-, C12H12N2O2, CID121029, C12-H12-N2-O2,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.24g/mol
Monoisotopic Mass	216.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number