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100944-51-2 | Acetic acid, 2-[6-(hydroxymethyl)-2-oxo-3-morpholinylidene]-, methyl ester
CAS No: 100944-51-2 Catalog No: AG0003A8 MDL No:
Product Description
Catalog Number:
AG0003A8
Chemical Name:
Acetic acid, 2-[6-(hydroxymethyl)-2-oxo-3-morpholinylidene]-, methyl ester
CAS Number:
100944-51-2
Molecular Formula:
C8H11NO5
Molecular Weight:
201.1766
IUPAC Name:
methyl 2-[6-(hydroxymethyl)-2-oxomorpholin-3-ylidene]acetate
InChI:
InChI=1S/C8H11NO5/c1-13-7(11)2-6-8(12)14-5(4-10)3-9-6/h2,5,9-10H,3-4H2,1H3
InChI Key:
LULAHTUFSJPXFA-UHFFFAOYSA-N
SMILES:
OCC1CNC(=CC(=O)OC)C(=O)O1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.178g/mol
Monoisotopic Mass:
201.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.4
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