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AG00GD4C

Name: 1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazole-3-carboxylic acid
Brand: Angene Chemical
SKU: AG00GD4C

856256-63-8 | 1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazole-3-carboxylic acid

Chemical structure of 1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazole-3-carboxylic acid, CAS 856256-63-8

AG00GD4C

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CAS Number	856256-63-8
Catalog Number	AG00GD4C(AGN-PC-0JUG7O)
Chemical Name	1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazole-3-carboxylic acid
IUPAC Name	1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxylic acid
InChI	InChI=1S/C9H12N2O2/c12-9(13)8-6-4-2-1-3-5-7(6)10-11-8/h1-5H2,(H,10,11)(H,12,13)
InChI Key	NFNLJMOKEMQHAB-UHFFFAOYSA-N
MDL Number	MFCD06740820
Molecular Formula	C9H12N2O2
Molecular Weight	180.2038
SMILES	OC(=O)C1C2=C(CCCCC2)NN=1
Synonyms	1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxylic acid, 856256-63-8, 842972-72-9, 2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxylic acid, 2,4,5,6,7,8-Hexahydro-cycloheptapyrazole-3-carboxylic acid, 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid, NFNLJMOKEMQHAB-UHFFFAOYSA-N, 1,4,5,6,7,8-Hexahydrocycloheptapyrazole-3-carboxylic acid, 2H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid, AC1LCSJR, SMR000015302, MLS000027214, SCHEMBL1149868, CHEMBL1528446, CTK7I5955, CTK8F3806, DTXSID80349606, HMS1695F04, HMS2405I03, ALBB-008813, ZINC5052891, BBL034954, HTS001855, MFCD06011089, MFCD06740820, SBB027827, STK392453, AKOS000271355, AKOS000301842, BS-3201, MCULE-1988156871, KS-0000237K, BAS 15420831, TR-044874, BB 0219053, ST50160598, L-2412, Z-0346, F1907-0108, F3250-0655, Z111781380, 4,5,6,7,8-pentahydrocyclohepta[1,2-c]pyrazole-3-carboxylic acid, 4,5,6,7,8-pentahydrocyclohepta[2,1-d]pyrazole-3-carboxylic acid, Cyclohepta[c]pyrazole-3-carboxylic acid, 1,4,5,6,7,8-hexahydro-, C9H12N2O2, CID655343, 1H,4H,5H,6H,7H,8H-Cyclohepta-[c]pyrazole-3-carboxylic acid,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.09g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.207g/mol
Monoisotopic Mass	180.09g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited