AG0001DY

1002535-21-8 | Benzoic acid, 3-(1H-pyrazol-4-yl)-

AG0001DY

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CAS Number	1002535-21-8
Catalog Number	AG0001DY(AGN-PC-0LX9FG)
Chemical Name	Benzoic acid, 3-(1H-pyrazol-4-yl)-
IUPAC Name	3-(1H-pyrazol-4-yl)benzoic acid
InChI	InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14)
InChI Key	BXSUQWZHUHROLP-UHFFFAOYSA-N
MDL Number	MFCD06739075
Molecular Formula	C10H8N2O2
Molecular Weight	188.1827
SMILES	O=C(O)C1=CC=CC(C2=CNN=C2)=C1
Synonyms	3-(1H-pyrazol-4-yl)benzoic Acid, 1002535-21-8, 3-(1H-Pyrazol-4-yl)-benzoic acid, 3-(1 H -Pyrazol-4-yl)-benzoic acid, Benzoic acid, 3-(1H-pyrazol-4-yl)-, PubChem22757, AC1OGS3P, 3-pyrazol-4-ylbenzoic acid, SCHEMBL1759327, CTK3J8696, DTXSID30428319, BXSUQWZHUHROLP-UHFFFAOYSA-N, ZINC4294283, Benzoicacid,3-(1H-pyrazol-4-yl)-, MFCD06739075, SBB052732, 3-(1 h-pyrazol-4-yl)-benzoic acid, AKOS000314407, AB28538, FS-1840, MCULE-1648663882, AJ-50414, AB1008793, RT-016711, BB 0261740, FT-0690078, KS-00002593, 3-(1H-Pyrazol-4-yl)benzoic acid, AldrichCPR, K-0157, EWG, null, 3-(3-Carboxyphenyl)-1H-pyrazole, ACN-045273, CID7174253,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.059g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	188.186g/mol
Monoisotopic Mass	188.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
Signal Words	warning
UN Code

Certificate of Analysis

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