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Home > Pyridines > 1559062-00-8
1559062-00-8 | 3-piperidinyl(2-pyridinyl)methanone - carbonic acid (2:1)
CAS No: 1559062-00-8 Catalog No: AG00J2ZJ MDL No:MFCD27966303
Product Description
Catalog Number:
AG00J2ZJ
Chemical Name:
3-piperidinyl(2-pyridinyl)methanone - carbonic acid (2:1)
CAS Number:
1559062-00-8
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD27966303
IUPAC Name:
carbonic acid;piperidin-3-yl(pyridin-2-yl)methanone
InChI:
InChI=1S/C11H14N2O.CH2O3/c14-11(9-4-3-6-12-8-9)10-5-1-2-7-13-10;2-1(3)4/h1-2,5,7,9,12H,3-4,6,8H2;(H2,2,3,4)
InChI Key:
NYELDUMHAQAYMK-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)C1CCCNC1.OC(=O)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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