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42746-49-6 | 5-benzyl-1,3-oxazolidin-2-one
CAS No: 42746-49-6 Catalog No: AG01A5TU MDL No:MFCD01755618
Product Description
Catalog Number:
AG01A5TU
Chemical Name:
5-benzyl-1,3-oxazolidin-2-one
CAS Number:
42746-49-6
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD01755618
IUPAC Name:
5-benzyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C10H11NO2/c12-10-11-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChI Key:
DLBSGOZFSFUDKO-UHFFFAOYSA-N
SMILES:
O=C1NCC(O1)Cc1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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