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2128297-60-7 | (2E)-3-[6-(methoxycarbonyl)pyridin-3-yl]prop-2-enoic acid hydrochloride
CAS No: 2128297-60-7 Catalog No: AG01EM0F MDL No:
Product Description
Catalog Number:
AG01EM0F
Chemical Name:
(2E)-3-[6-(methoxycarbonyl)pyridin-3-yl]prop-2-enoic acid hydrochloride
CAS Number:
2128297-60-7
Molecular Formula:
C10H10ClNO4
Molecular Weight:
243.6437
IUPAC Name:
(E)-3-(6-methoxycarbonylpyridin-3-yl)prop-2-enoic acid;hydrochloride
InChI:
InChI=1S/C10H9NO4.ClH/c1-15-10(14)8-4-2-7(6-11-8)3-5-9(12)13;/h2-6H,1H3,(H,12,13);1H/b5-3+;
InChI Key:
LZPJLTSDENABSR-WGCWOXMQSA-N
SMILES:
COC(=O)c1ccc(cn1)/C=C/C(=O)O.Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
243.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.643g/mol
Monoisotopic Mass:
243.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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