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1222533-81-4 | 2-Propenoic acid, 3-[8-(2,2-dimethyl-1-oxopropyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-, methyl ester, (2E)-
CAS No: 1222533-81-4 Catalog No: AG0016ZM MDL No:MFCD16628240
Product Description
Catalog Number:
AG0016ZM
Chemical Name:
2-Propenoic acid, 3-[8-(2,2-dimethyl-1-oxopropyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-, methyl ester, (2E)-
CAS Number:
1222533-81-4
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
MDL Number:
MFCD16628240
IUPAC Name:
methyl (E)-3-[8-(2,2-dimethylpropanoyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]prop-2-enoate
InChI:
InChI=1S/C17H22N2O3/c1-17(2,3)16(21)19-9-5-6-13-10-12(11-18-15(13)19)7-8-14(20)22-4/h7-8,10-11H,5-6,9H2,1-4H3/b8-7+
InChI Key:
BQVQCJGHSIKDMY-BQYQJAHWSA-N
SMILES:
COC(=O)/C=C/c1cnc2c(c1)CCCN2C(=O)C(C)(C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
302.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.374g/mol
Monoisotopic Mass:
302.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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