AG00EG24

628297-55-2 | 3-(1-Methyl-1H-pyrazol-5-yl)benzoic acid

AG00EG24

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CAS Number	628297-55-2
Catalog Number	AG00EG24(AGN-PC-01XRWN)
Chemical Name	3-(1-Methyl-1H-pyrazol-5-yl)benzoic acid
IUPAC Name	3-(2-methylpyrazol-3-yl)benzoic acid
InChI	InChI=1S/C11H10N2O2/c1-13-10(5-6-12-13)8-3-2-4-9(7-8)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key	OBOMYSVFLSMYLV-UHFFFAOYSA-N
MDL Number	MFCD09702398
Molecular Formula	C11H10N2O2
Molecular Weight	202.2093
SMILES	O=C(O)C1=CC=CC(C2=CC=NN2C)=C1
Synonyms	3-(1-Methyl-1H-pyrazol-5-yl)benzoic acid, 628297-55-2, 3-(2-methylpyrazol-3-yl)benzoic acid, SCHEMBL940183, CTK2F2537, DTXSID10595018, OBOMYSVFLSMYLV-UHFFFAOYSA-N, KS-00000N9M, ANW-63485, MFCD09702398, SBB092923, ZINC12370649, AKOS013154318, 3-(1-methylpyrazol-5-yl)benzoic acid, DS-2429, FS-3666, MP-1959, AJ-61847, AK-80350, QC-10087, AB0065543, DB-073202, RT-008269, ST2417327, 4CH-002040, FT-0732953, Z4966, Benzoicacid,3-(1-methyl-1H-pyrazol-5-yl)-, Benzoicacid, 3-(1-methyl-1H-pyrazol-5-yl)-, Benzoic acid, 3-(1-methyl-1H-pyrazol-5-yl)-, I01-20020, 3-(1-methyl-1H-pyrazol-5-yl)benzoic acid, AldrichCPR, C11H10N2O2,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.213g/mol
Monoisotopic Mass	202.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^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-H315-H319-H335-H412
Packing Group
Precautionary statements	P261-P273-P305+P351+P338
UN Code

Certificate of Analysis

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