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1001756-84-8 | 3-Pyridinecarboxylic acid, 5-(aminomethyl)-, methyl ester
CAS No: 1001756-84-8 Catalog No: AG000153 MDL No:
Product Description
Catalog Number:
AG000153
Chemical Name:
3-Pyridinecarboxylic acid, 5-(aminomethyl)-, methyl ester
CAS Number:
1001756-84-8
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
methyl 5-(aminomethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C8H10N2O2/c1-12-8(11)7-2-6(3-9)4-10-5-7/h2,4-5H,3,9H2,1H3
InChI Key:
ZQWJKAICQACUJX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(CN)cnc1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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