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Home > Pyridines > 1171919-91-7
1171919-91-7 | 2-Propenoic acid, 3-(5,6-dimethoxy-3-pyridinyl)-, methyl ester
CAS No: 1171919-91-7 Catalog No: AG000DVZ MDL No:MFCD12401640
Product Description
Catalog Number:
AG000DVZ
Chemical Name:
2-Propenoic acid, 3-(5,6-dimethoxy-3-pyridinyl)-, methyl ester
CAS Number:
1171919-91-7
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD12401640
IUPAC Name:
methyl (E)-3-(5,6-dimethoxypyridin-3-yl)prop-2-enoate
InChI:
InChI=1S/C11H13NO4/c1-14-9-6-8(4-5-10(13)15-2)7-12-11(9)16-3/h4-7H,1-3H3/b5-4+
InChI Key:
OTNZBEPTBKZVIJ-SNAWJCMRSA-N
SMILES:
COC(=O)C=Cc1cnc(c(c1)OC)OC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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