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1318759-82-8 | 5H-Cyclopenta[b]pyridine-3-carboxylic acid, 6,7-dihydro-, methyl ester
CAS No: 1318759-82-8 Catalog No: AG000ZUK MDL No:MFCD27923632
Product Description
Catalog Number:
AG000ZUK
Chemical Name:
5H-Cyclopenta[b]pyridine-3-carboxylic acid, 6,7-dihydro-, methyl ester
CAS Number:
1318759-82-8
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD27923632
IUPAC Name:
methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate
InChI:
InChI=1S/C10H11NO2/c1-13-10(12)8-5-7-3-2-4-9(7)11-6-8/h5-6H,2-4H2,1H3
InChI Key:
MSMHALSMBLNCJM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)CCC2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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