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133147-16-7 | 3-Pyridinecarboxylic acid, 1,4-dihydro-5-[(methoxymethylamino)carbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-, methyl ester
CAS No: 133147-16-7 Catalog No: AG0014C0 MDL No:
Product Description
Catalog Number:
AG0014C0
Chemical Name:
3-Pyridinecarboxylic acid, 1,4-dihydro-5-[(methoxymethylamino)carbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-, methyl ester
CAS Number:
133147-16-7
Molecular Formula:
C18H21N3O6
Molecular Weight:
375.3758
IUPAC Name:
methyl 5-[methoxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
InChI:
InChI=1S/C18H21N3O6/c1-10-14(17(22)20(3)27-5)16(15(11(2)19-10)18(23)26-4)12-7-6-8-13(9-12)21(24)25/h6-9,16,19H,1-5H3
InChI Key:
DSPRWQBESJGGTL-UHFFFAOYSA-N
SMILES:
COCNC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC)C
Properties
Complexity:
694
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.143g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.381g/mol
Monoisotopic Mass:
375.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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