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Home > Pyridines > 860786-07-8
860786-07-8 | (2E)-3-{[6-(1,3-dimethoxy-1,3-dioxopropan-2-yl)pyridin-3-yl]carbamoyl}prop-2-enoic acid
CAS No: 860786-07-8 Catalog No: AG00IO6D MDL No:MFCD03617784
Product Description
Catalog Number:
AG00IO6D
Chemical Name:
(2E)-3-{[6-(1,3-dimethoxy-1,3-dioxopropan-2-yl)pyridin-3-yl]carbamoyl}prop-2-enoic acid
CAS Number:
860786-07-8
Molecular Formula:
C14H14N2O7
Molecular Weight:
322.2702
MDL Number:
MFCD03617784
IUPAC Name:
4-[[6-(1,3-dimethoxy-1,3-dioxopropan-2-yl)pyridin-3-yl]amino]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C14H14N2O7/c1-22-13(20)12(14(21)23-2)9-4-3-8(7-15-9)16-10(17)5-6-11(18)19/h3-7,12H,1-2H3,(H,16,17)(H,18,19)
InChI Key:
BHZUSIZTYFFRFC-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cn1)NC(=O)/C=C/C(=O)O)C(=O)OC
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.08g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.273g/mol
Monoisotopic Mass:
322.08g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.3
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