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Home > Pyridines > 1807933-81-8
1807933-81-8 | octahydro-1H-pyrano[3,4-b]pyridine, oxalic acid
CAS No: 1807933-81-8 Catalog No: AG01BANS MDL No:
Product Description
Catalog Number:
AG01BANS
Chemical Name:
octahydro-1H-pyrano[3,4-b]pyridine, oxalic acid
CAS Number:
1807933-81-8
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
IUPAC Name:
(4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine;oxalic acid
InChI:
InChI=1S/C8H15NO.C2H2O4/c1-2-7-3-5-10-6-8(7)9-4-1;3-1(4)2(5)6/h7-9H,1-6H2;(H,3,4)(H,5,6)/t7-,8+;/m1./s1
InChI Key:
HAPURMUUNQVENY-WLYNEOFISA-N
SMILES:
C1CN[C@@H]2[C@H](C1)CCOC2.OC(=O)C(=O)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.248g/mol
Monoisotopic Mass:
231.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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