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29306-25-0 | 2-Oxazolidinone, 5-[[(aminocarbonyl)oxy]methyl]-3-phenyl-
CAS No: 29306-25-0 Catalog No: AG002Y11 MDL No:
Product Description
Catalog Number:
AG002Y11
Chemical Name:
2-Oxazolidinone, 5-[[(aminocarbonyl)oxy]methyl]-3-phenyl-
CAS Number:
29306-25-0
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
IUPAC Name:
(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl carbamate
InChI:
InChI=1S/C11H12N2O4/c12-10(14)16-7-9-6-13(11(15)17-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)
InChI Key:
XRLKEQVLFHPRET-UHFFFAOYSA-N
SMILES:
NC(=O)OCC1CN(C(=O)O1)c1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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