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1161000-19-6 | Pyrrolo[1,2-a]pyrazin-7-ol, octahydro-, (7R,8aS)-rel-
CAS No: 1161000-19-6 Catalog No: AG000BNE MDL No:MFCD12964162
Product Description
Catalog Number:
AG000BNE
Chemical Name:
Pyrrolo[1,2-a]pyrazin-7-ol, octahydro-, (7R,8aS)-rel-
CAS Number:
1161000-19-6
Molecular Formula:
C7H14N2O
Molecular Weight:
142.1989
MDL Number:
MFCD12964162
IUPAC Name:
(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
InChI:
InChI=1S/C7H14N2O/c10-7-3-6-4-8-1-2-9(6)5-7/h6-8,10H,1-5H2/t6-,7+/m0/s1
InChI Key:
VLVMRQREBYGIBY-NKWVEPMBSA-N
SMILES:
O[C@H]1CN2[C@@H](C1)CNCC2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
142.111g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.202g/mol
Monoisotopic Mass:
142.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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