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1222533-78-9 | 1,8-Naphthyridine-3-carbonitrile, 8-(2,2-dimethyl-1-oxopropyl)-5,6,7,8-tetrahydro-
CAS No: 1222533-78-9 Catalog No: AG0016ZP MDL No:MFCD16628237
Product Description
Catalog Number:
AG0016ZP
Chemical Name:
1,8-Naphthyridine-3-carbonitrile, 8-(2,2-dimethyl-1-oxopropyl)-5,6,7,8-tetrahydro-
CAS Number:
1222533-78-9
Molecular Formula:
C14H17N3O
Molecular Weight:
243.3043
MDL Number:
MFCD16628237
IUPAC Name:
8-(2,2-dimethylpropanoyl)-6,7-dihydro-5H-1,8-naphthyridine-3-carbonitrile
InChI:
InChI=1S/C14H17N3O/c1-14(2,3)13(18)17-6-4-5-11-7-10(8-15)9-16-12(11)17/h7,9H,4-6H2,1-3H3
InChI Key:
VCMMQTXCEYFHNO-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1)CCCN2C(=O)C(C)(C)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.31g/mol
Monoisotopic Mass:
243.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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