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686-83-9 | 1,3-bis(hydroxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1h,3h)-dione
CAS No: 686-83-9 Catalog No: AG005OM5 MDL No:
Product Description
Catalog Number:
AG005OM5
Chemical Name:
1,3-bis(hydroxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1h,3h)-dione
CAS Number:
686-83-9
Molecular Formula:
C6H10N4O4
Molecular Weight:
202.1680
IUPAC Name:
2-(trimethylazaniumyl)tetradecanoate
InChI:
InChI=1S/C17H35NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16(17(19)20)18(2,3)4/h16H,5-15H2,1-4H3
InChI Key:
LVBSECZFJBGOCR-UHFFFAOYSA-N
SMILES:
OCN1C(=O)N(C2C1NC(=O)N2)CO
EC Number:
211-691-5
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.267g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.472g/mol
Monoisotopic Mass:
285.267g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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