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827588-24-9 | 3-Pyridinecarboxylic acid, 6-amino-, 1-methylethyl ester
CAS No: 827588-24-9 Catalog No: AG00576P MDL No:MFCD18304496
Product Description
Catalog Number:
AG00576P
Chemical Name:
3-Pyridinecarboxylic acid, 6-amino-, 1-methylethyl ester
CAS Number:
827588-24-9
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD18304496
IUPAC Name:
propan-2-yl 6-aminopyridine-3-carboxylate
InChI:
InChI=1S/C9H12N2O2/c1-6(2)13-9(12)7-3-4-8(10)11-5-7/h3-6H,1-2H3,(H2,10,11)
InChI Key:
YCYCTWVHPGSEFU-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ccc(nc1)N)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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