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2007916-14-3 | 2H-Pyrido[1,2-a]pyrazine, octahydro-, ethanedioate (1:1), (9aS)-
CAS No: 2007916-14-3 Catalog No: AG002CYT MDL No:
Product Description
Catalog Number:
AG002CYT
Chemical Name:
2H-Pyrido[1,2-a]pyrazine, octahydro-, ethanedioate (1:1), (9aS)-
CAS Number:
2007916-14-3
Molecular Formula:
C10H18N2O4
Molecular Weight:
230.2609
IUPAC Name:
(9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;oxalic acid
InChI:
InChI=1S/C8H16N2.C2H2O4/c1-2-5-10-6-4-9-7-8(10)3-1;3-1(4)2(5)6/h8-9H,1-7H2;(H,3,4)(H,5,6)/t8-;/m0./s1
InChI Key:
IZLXUBUCSXDDSG-QRPNPIFTSA-N
SMILES:
C1CC[C@@H]2N(C1)CCNC2.OC(=O)C(=O)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
230.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
230.264g/mol
Monoisotopic Mass:
230.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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