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15568-88-4 | 1,3-Dioxane-4,6-dione, 5-(aminomethylene)-2,2-dimethyl-
CAS No: 15568-88-4 Catalog No: AG001O49 MDL No:MFCD01111609
Product Description
Catalog Number:
AG001O49
Chemical Name:
1,3-Dioxane-4,6-dione, 5-(aminomethylene)-2,2-dimethyl-
CAS Number:
15568-88-4
Molecular Formula:
C7H9NO4
Molecular Weight:
171.1507
MDL Number:
MFCD01111609
IUPAC Name:
5-(aminomethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C7H9NO4/c1-7(2)11-5(9)4(3-8)6(10)12-7/h3H,8H2,1-2H3
InChI Key:
NBFFWEHAIAWVHY-UHFFFAOYSA-N
SMILES:
NC=C1C(=O)OC(OC1=O)(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.152g/mol
Monoisotopic Mass:
171.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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