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190002-20-1 | 2-Propenamide, N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-
CAS No: 190002-20-1 Catalog No: AG002E8N MDL No:
Product Description
Catalog Number:
AG002E8N
Chemical Name:
2-Propenamide, N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-
CAS Number:
190002-20-1
Molecular Formula:
C10H17NO4
Molecular Weight:
215.2463
IUPAC Name:
N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]prop-2-enamide
InChI:
InChI=1S/C10H17NO4/c1-4-8(13)11-10(5-12)6-14-9(2,3)15-7-10/h4,12H,1,5-7H2,2-3H3,(H,11,13)
InChI Key:
GFYBKCFJFDBJSY-UHFFFAOYSA-N
SMILES:
OCC1(COC(OC1)(C)C)NC(=O)C=C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.249g/mol
Monoisotopic Mass:
215.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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