Name: Name:2H-Indazole-3-carboxylicacid, 4,5,6,7-tetrahydro-5-methyl-
Brand: Angene
SKU: AG0056O2
Rating: 90 (10 reviews)

2H-Indazole-3-carboxylicacid, 4,5,6,7-tetrahydro-5-methyl-

CAS No.:

842972-14-9

Catalog Number:

AG0056O2

Molecular Formula:

C9H12N2O2

Molecular Weight:

180.2038

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Product Description

Catalog Number:

AG0056O2

Chemical Name:

2H-Indazole-3-carboxylicacid, 4,5,6,7-tetrahydro-5-methyl-

CAS Number:

842972-14-9

Molecular Formula:

C9H12N2O2

Molecular Weight:

180.2038

MDL Number:

MFCD06011086

IUPAC Name:

5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

InChI:

InChI=1S/C9H12N2O2/c1-5-2-3-7-6(4-5)8(9(12)13)11-10-7/h5H,2-4H2,1H3,(H,10,11)(H,12,13)

InChI Key:

TYDZWBIBMZLMSH-UHFFFAOYSA-N

SMILES:

CC1CCc2c(C1)c([nH]n2)C(=O)O

Properties

Complexity:

220

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.207g/mol

Monoisotopic Mass:

180.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties