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116203-86-2 | 2-Propan-1,1-d2-ol, 1-(methyl-d3-nitrosoamino)- (9CI)
CAS No: 116203-86-2 Catalog No: AG000BWL MDL No:
Product Description
Catalog Number:
AG000BWL
Chemical Name:
2-Propan-1,1-d2-ol, 1-(methyl-d3-nitrosoamino)- (9CI)
CAS Number:
116203-86-2
Molecular Formula:
C4H5D5N2O2
Molecular Weight:
123.1652
IUPAC Name:
N-(1,1-dideuterio-2-hydroxypropyl)-N-methylnitrous amide
InChI:
InChI=1S/C4H10N2O2/c1-4(7)3-6(2)5-8/h4,7H,3H2,1-2H3/i3D2
InChI Key:
SJPQUECDNWANFT-SMZGMGDZSA-N
SMILES:
C([2H])(N(C(C(O)C)([2H])[2H])N=O)([2H])[2H]
Properties
Complexity:
76.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.087g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
2
Molecular Weight:
120.148g/mol
Monoisotopic Mass:
120.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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