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Home > Pyridines > 131211-78-4
131211-78-4 | methyl 2-[(acetyloxy)(pyridin-2-yl)methyl]prop-2-enoate
CAS No: 131211-78-4 Catalog No: AG01A5GC MDL No:MFCD24842898
Product Description
Catalog Number:
AG01A5GC
Chemical Name:
methyl 2-[(acetyloxy)(pyridin-2-yl)methyl]prop-2-enoate
CAS Number:
131211-78-4
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD24842898
IUPAC Name:
methyl 2-[acetyloxy(pyridin-2-yl)methyl]prop-2-enoate
InChI:
InChI=1S/C12H13NO4/c1-8(12(15)16-3)11(17-9(2)14)10-6-4-5-7-13-10/h4-7,11H,1H2,2-3H3
InChI Key:
MAGNANJTNPBBMV-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)C(c1ccccn1)OC(=O)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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