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114402-11-8

114402-11-8 | 5H-Cyclopenta[b]pyridine-3-carboxylic acid, 6,7-dihydro-

CAS No: 114402-11-8 Catalog No: AG000B9C MDL No:MFCD09035048

Product Description

Catalog Number:
AG000B9C
Chemical Name:
5H-Cyclopenta[b]pyridine-3-carboxylic acid, 6,7-dihydro-
CAS Number:
114402-11-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD09035048
IUPAC Name:
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H9NO2/c11-9(12)7-4-6-2-1-3-8(6)10-5-7/h4-5H,1-3H2,(H,11,12)
InChI Key:
KDCDSNYNWQNPRU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1)CCC2

Properties

Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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