AG0093QL

1105039-93-7 | 1-(4-METHOXY-BENZYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

AG0093QL

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CAS Number	1105039-93-7
Catalog Number	AG0093QL(AGN-PC-0WAMFB)
Chemical Name	1-(4-METHOXY-BENZYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
IUPAC Name	1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid
InChI	InChI=1S/C12H12N2O3/c1-17-11-4-2-9(3-5-11)7-14-8-10(6-13-14)12(15)16/h2-6,8H,7H2,1H3,(H,15,16)
InChI Key	JMWJJDKQQMMJRG-UHFFFAOYSA-N
MDL Number	MFCD08456928
Molecular Formula	C12H12N2O3
Molecular Weight	232.2353
SMILES	O=C(C1=CN(CC2=CC=C(OC)C=C2)N=C1)O
Synonyms	1-(4-Methoxybenzyl)-1H-pyrazole-4-carboxylic acid, 1105039-93-7, 1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylic acid, 1-(4-Methoxy-benzyl)-1H-pyrazole-4-carboxylic acid, SCHEMBL369349, KS-00000TAW, JMWJJDKQQMMJRG-UHFFFAOYSA-N, MFCD08456928, ZINC36777974, AKOS009585478, MCULE-2961502189, NE18469, AK190832, DS-10017, EN300-73681, Z1259339902,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.085g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.239g/mol
Monoisotopic Mass	232.085g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	64.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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