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1255098-49-7 | 3-Morpholinecarboxylic acid, 5-oxo-, methyl ester
CAS No: 1255098-49-7 Catalog No: AG000NQR MDL No:
Product Description
Catalog Number:
AG000NQR
Chemical Name:
3-Morpholinecarboxylic acid, 5-oxo-, methyl ester
CAS Number:
1255098-49-7
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
IUPAC Name:
methyl 5-oxomorpholine-3-carboxylate
InChI:
InChI=1S/C6H9NO4/c1-10-6(9)4-2-11-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)
InChI Key:
UQKLXCZQFBAAPB-UHFFFAOYSA-N
SMILES:
COC(=O)C1COCC(=O)N1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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