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Home > Pyridines > 1909358-81-1
1909358-81-1 | 2-methyl-3-(pyridin-2-yl)prop-2-enoic acid hydrochloride
CAS No: 1909358-81-1 Catalog No: AG01B1ZN MDL No:
Product Description
Catalog Number:
AG01B1ZN
Chemical Name:
2-methyl-3-(pyridin-2-yl)prop-2-enoic acid hydrochloride
CAS Number:
1909358-81-1
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
IUPAC Name:
2-methyl-3-pyridin-2-ylprop-2-enoic acid;hydrochloride
InChI:
InChI=1S/C9H9NO2.ClH/c1-7(9(11)12)6-8-4-2-3-5-10-8;/h2-6H,1H3,(H,11,12);1H
InChI Key:
NEBYARORPPKCJT-UHFFFAOYSA-N
SMILES:
OC(=O)C(=Cc1ccccn1)C.Cl
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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