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947694-76-0 | 2-Pyridin-3-ylmorpholine oxalate
CAS No: 947694-76-0 Catalog No: AG00IIJ6 MDL No:MFCD03840010
Product Description
Catalog Number:
AG00IIJ6
Chemical Name:
2-Pyridin-3-ylmorpholine oxalate
CAS Number:
947694-76-0
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD03840010
IUPAC Name:
oxalic acid;2-pyridin-3-ylmorpholine
InChI:
InChI=1S/C9H12N2O.C2H2O4/c1-2-8(6-10-3-1)9-7-11-4-5-12-9;3-1(4)2(5)6/h1-3,6,9,11H,4-5,7H2;(H,3,4)(H,5,6)
InChI Key:
KVZMAWBINOBYMY-UHFFFAOYSA-N
SMILES:
C1COC(CN1)c1cccnc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.242g/mol
Monoisotopic Mass:
254.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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