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1236254-79-7 | 2-Pyridineacetic acid, α-amino-, ethyl ester, hydrochloride (1:2)
CAS No: 1236254-79-7 Catalog No: AG000KW2 MDL No:MFCD15143297
Product Description
Catalog Number:
AG000KW2
Chemical Name:
2-Pyridineacetic acid, α-amino-, ethyl ester, hydrochloride (1:2)
CAS Number:
1236254-79-7
Molecular Formula:
C9H14Cl2N2O2
Molecular Weight:
253.1257
MDL Number:
MFCD15143297
IUPAC Name:
ethyl 2-amino-2-pyridin-2-ylacetate;dihydrochloride
InChI:
InChI=1S/C9H12N2O2.2ClH/c1-2-13-9(12)8(10)7-5-3-4-6-11-7;;/h3-6,8H,2,10H2,1H3;2*1H
InChI Key:
DMKBGXSXYVJBEJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccccn1)N.Cl.Cl
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.123g/mol
Monoisotopic Mass:
252.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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