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2092077-08-0 | 8a-(hydroxymethyl)-hexahydro-1H-imidazolidino[4,3-c]morpholin-3-one
CAS No: 2092077-08-0 Catalog No: AG01BXV8 MDL No:MFCD30625455
Product Description
Catalog Number:
AG01BXV8
Chemical Name:
8a-(hydroxymethyl)-hexahydro-1H-imidazolidino[4,3-c]morpholin-3-one
CAS Number:
2092077-08-0
Molecular Formula:
C7H12N2O3
Molecular Weight:
172.1818
MDL Number:
MFCD30625455
IUPAC Name:
8a-(hydroxymethyl)-2,5,6,8-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one
InChI:
InChI=1S/C7H12N2O3/c10-4-7-3-8-6(11)9(7)1-2-12-5-7/h10H,1-5H2,(H,8,11)
InChI Key:
BWXBJOOIPDJUCL-UHFFFAOYSA-N
SMILES:
OCC12COCCN2C(=O)NC1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.184g/mol
Monoisotopic Mass:
172.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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