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Home > Pyridines > 131674-41-4
131674-41-4 | 2-Propenoic acid, 3-(2-methoxy-3-pyridinyl)-, (2E)-
CAS No: 131674-41-4 Catalog No: AG000ZJX MDL No:
Product Description
Catalog Number:
AG000ZJX
Chemical Name:
2-Propenoic acid, 3-(2-methoxy-3-pyridinyl)-, (2E)-
CAS Number:
131674-41-4
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
(E)-3-(2-methoxypyridin-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C9H9NO3/c1-13-9-7(3-2-6-10-9)4-5-8(11)12/h2-6H,1H3,(H,11,12)/b5-4+
InChI Key:
MTVRDAQJMCORAQ-SNAWJCMRSA-N
SMILES:
COc1ncccc1/C=C/C(=O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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