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Home > Pyridines > 1415565-96-6
1415565-96-6 | (E)-2-(methoxycarbonyl)-3-(pyridin-3-yl)acrylic acid
CAS No: 1415565-96-6 Catalog No: AG00IM0T MDL No:
Product Description
Catalog Number:
AG00IM0T
Chemical Name:
(E)-2-(methoxycarbonyl)-3-(pyridin-3-yl)acrylic acid
CAS Number:
1415565-96-6
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
(E)-2-methoxycarbonyl-3-pyridin-3-ylprop-2-enoic acid
InChI:
InChI=1S/C10H9NO4/c1-15-10(14)8(9(12)13)5-7-3-2-4-11-6-7/h2-6H,1H3,(H,12,13)/b8-5+
InChI Key:
ZHBKVMVQXKDHAL-VMPITWQZSA-N
SMILES:
COC(=O)/C(=C/c1cccnc1)/C(=O)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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