AG00BFEC

24086-27-9 | 3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid

AG00BFEC

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CAS Number	24086-27-9
Catalog Number	AG00BFEC(AGN-PC-0JW9XH)
Chemical Name	3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
IUPAC Name	3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylic acid
InChI	InChI=1S/C13H10N2O2S/c1-8-10-7-11(13(16)17)18-12(10)15(14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)
InChI Key	KIBNFCSPPOYXPP-UHFFFAOYSA-N
MDL Number	MFCD01244991
Molecular Formula	C13H10N2O2S
Molecular Weight	258.2957
SMILES	O=C(C(S1)=CC2=C1N(C3=CC=CC=C3)N=C2C)O
Synonyms	3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid, 24086-27-9, SMR000071493, MLS000099719, 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylic acid, 3-Methyl-1-phenyl-1H-thieno-[2,3-c]pyrazole-5-carboxylic acid, AC1LFFHW, Enamine_000956, AC1Q5UIR, AC1Q2PS6, Oprea1_757630, Oprea1_766318, SCHEMBL853240, cid_802154, CHEMBL1372488, REGID_for_CID_802154, BDBM38831, CTK1A4441, KIBNFCSPPOYXPP-UHFFFAOYSA-N, HMS1396L10, HMS2367I24, HMS3433A08, ZINC309706, ALBB-021513, 1738AB, 8122AD, BBL008261, MFCD01244991, SBB009714, STK149513, AKOS000114501, CCG-125120, MCULE-2428241956, AJ-19149, AS-48237, BAS 01516971, AB0221653, DB-028762, FT-0722576, ST24042301, EN300-00003, W-8155, J-512832, Z56784786, 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid, 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid, 3-methyl-1-phenylthiopheno[3,2-d]pyrazole-5-carboxylic acid, 1H-Thieno[2,3-c]pyrazole-5-carboxylic acid, 3-methyl-1-phenyl-, 1H-Thieno[2,3-c]pyrazole-5-carboxylicacid, 3-methyl-1-phenyl-, 3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid, AldrichCPR, C13H10N2O2S, C11H10N2O3, AR-1F4144, CID802154, 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid, 24088-59-3, 2422-91-5,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.046g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.295g/mol
Monoisotopic Mass	258.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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