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212913-13-8 | Carbamic acid, [(2-oxo-5-oxazolidinyl)methyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 212913-13-8 Catalog No: AG00BN3S MDL No:MFCD12827777
Product Description
Catalog Number:
AG00BN3S
Chemical Name:
Carbamic acid, [(2-oxo-5-oxazolidinyl)methyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
212913-13-8
Molecular Formula:
C9H16N2O4
Molecular Weight:
216.2343
MDL Number:
MFCD12827777
IUPAC Name:
tert-butyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate
InChI:
InChI=1S/C9H16N2O4/c1-9(2,3)15-8(13)11-5-6-4-10-7(12)14-6/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)
InChI Key:
KBBLJDDYBLDMOU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CNC(=O)O1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.237g/mol
Monoisotopic Mass:
216.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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