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86371-00-8 | 5H-[1]Benzopyrano[3,4-c]pyridin-5-one, 8-ethyl-1,2,3,4-tetrahydro-
CAS No: 86371-00-8 Catalog No: AG004PZJ MDL No:
Product Description
Catalog Number:
AG004PZJ
Chemical Name:
5H-[1]Benzopyrano[3,4-c]pyridin-5-one, 8-ethyl-1,2,3,4-tetrahydro-
CAS Number:
86371-00-8
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
8-ethyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
InChI:
InChI=1S/C14H15NO2/c1-2-9-3-4-11-10-5-6-15-8-12(10)14(16)17-13(11)7-9/h3-4,7,15H,2,5-6,8H2,1H3
InChI Key:
KOFWZQGRTMEPNC-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)oc(=O)c1c2CCNC1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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