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69966-42-3 | Methyl 2-(pyridin-3-yl)acetate hydrochloride
CAS No: 69966-42-3 Catalog No: AG003RTD MDL No:MFCD19442777
Product Description
Catalog Number:
AG003RTD
Chemical Name:
Methyl 2-(pyridin-3-yl)acetate hydrochloride
CAS Number:
69966-42-3
Molecular Formula:
C8H10ClNO2
Molecular Weight:
187.6235
MDL Number:
MFCD19442777
IUPAC Name:
methyl 2-pyridin-3-ylacetate;hydrochloride
InChI:
InChI=1S/C8H9NO2.ClH/c1-11-8(10)5-7-3-2-4-9-6-7;/h2-4,6H,5H2,1H3;1H
InChI Key:
VKOSBUGMYWSLSS-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccnc1.Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.623g/mol
Monoisotopic Mass:
187.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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