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Home Carboxys 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-

1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-

CAS No.:
131172-64-0
Catalog Number:
AG000VNL
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
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Product Description
Catalog Number:
AG000VNL
Chemical Name:
1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-
CAS Number:
131172-64-0
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD01101168
IUPAC Name:
4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H11NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h5,10H,1-4H2,(H,11,12)
InChI Key:
NYZDHGPFNPXPCM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)CCCC2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties