AG01BCAP

Name: 1-Methyl-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid
Brand: Angene Chemical
SKU: AG01BCAP

1496734-87-2 | 1-Methyl-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid

AG01BCAP

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CAS Number	1496734-87-2
Catalog Number	AG01BCAP
Chemical Name	1-Methyl-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid
IUPAC Name	3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxylic acid
InChI	InChI=1S/C8H11N3O2/c1-11-7-4-5(8(12)13)2-3-6(7)9-10-11/h5H,2-4H2,1H3,(H,12,13)
InChI Key	KSSGMJJRJZLREA-UHFFFAOYSA-N
MDL Number	MFCD28714762
Molecular Formula	C8H11N3O2
Molecular Weight	181.1918
SMILES	CN1C2=C(CCC(C2)C(=O)O)N=N1
Synonyms	1496734-87-2, 1-methyl-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid, AKOS022706507, Z2168282707,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.085g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.195g/mol
Monoisotopic Mass	181.085g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited