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Home Other Building Blocks 9-CARBAZOLEPROPIONIC ACID

9-CARBAZOLEPROPIONIC ACID

CAS No.:
6622-54-4
Catalog Number:
AG00FE0T
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
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Product Description
Catalog Number:
AG00FE0T
Chemical Name:
9-CARBAZOLEPROPIONIC ACID
CAS Number:
6622-54-4
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
MDL Number:
MFCD00085920
IUPAC Name:
3-carbazol-9-ylpropanoic acid
InChI:
InChI=1S/C15H13NO2/c17-15(18)9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8H,9-10H2,(H,17,18)
InChI Key:
ZAJJJOMMWPVJMH-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1c2ccccc2c2c1cccc2
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Discovery of inhibitors of human adipocyte fatty acid-binding protein, a potential type 2 diabetes target. Bioorganic & medicinal chemistry letters 20040906
Properties