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99838-20-7 | 1,2,5-TRIMETHYL-4-PHENYL-5,6-DIHYDRO-2H-PYRIDINE MALEATE
CAS No: 99838-20-7 Catalog No: AG003W7B MDL No:
Product Description
Catalog Number:
AG003W7B
Chemical Name:
1,2,5-TRIMETHYL-4-PHENYL-5,6-DIHYDRO-2H-PYRIDINE MALEATE
CAS Number:
99838-20-7
Molecular Formula:
C18H23NO4
Molecular Weight:
317.3795
IUPAC Name:
but-2-enedioic acid;1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C14H19N.C4H4O4/c1-11-10-15(3)12(2)9-14(11)13-7-5-4-6-8-13;5-3(6)1-2-4(7)8/h4-9,11-12H,10H2,1-3H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
LTGNOJYZNDHVPD-UHFFFAOYSA-N
SMILES:
CC1CN(C)C(C=C1c1ccccc1)C.OC(=O)/C=C\C(=O)O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.385g/mol
Monoisotopic Mass:
317.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
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