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921766-31-6 | 3-Oxazolidinecarboxylic acid, 4-formyl-2,2-dimethyl-, phenyl ester
CAS No: 921766-31-6 Catalog No: AG006GKR MDL No:
Product Description
Catalog Number:
AG006GKR
Chemical Name:
3-Oxazolidinecarboxylic acid, 4-formyl-2,2-dimethyl-, phenyl ester
CAS Number:
921766-31-6
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
phenyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C13H15NO4/c1-13(2)14(10(8-15)9-17-13)12(16)18-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChI Key:
XLRUFKZMUWHWHB-UHFFFAOYSA-N
SMILES:
O=CC1COC(N1C(=O)Oc1ccccc1)(C)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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