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139183-91-8 | Imidazo[1,5-a]pyridine-6-carboxylic acid, 5,6,7,8-tetrahydro-, methyl ester
CAS No: 139183-91-8 Catalog No: AG001AGR MDL No:MFCD22417057
Product Description
Catalog Number:
AG001AGR
Chemical Name:
Imidazo[1,5-a]pyridine-6-carboxylic acid, 5,6,7,8-tetrahydro-, methyl ester
CAS Number:
139183-91-8
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD22417057
IUPAC Name:
methyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
InChI:
InChI=1S/C9H12N2O2/c1-13-9(12)7-2-3-8-4-10-6-11(8)5-7/h4,6-7H,2-3,5H2,1H3
InChI Key:
SKHKESZMMHHOIE-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCc2n(C1)cnc2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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