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77942-92-8 | 5(4H)-Oxazolone, 4-(1-methylethyl)-2-(phenylmethoxy)-, (S)-
CAS No: 77942-92-8 Catalog No: AG008NXH MDL No:
Product Description
Catalog Number:
AG008NXH
Chemical Name:
5(4H)-Oxazolone, 4-(1-methylethyl)-2-(phenylmethoxy)-, (S)-
CAS Number:
77942-92-8
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
(4S)-2-phenylmethoxy-4-propan-2-yl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C13H15NO3/c1-9(2)11-12(15)17-13(14-11)16-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1
InChI Key:
XQGZDMGAPQCBRW-NSHDSACASA-N
SMILES:
CC([C@@H]1N=C(OC1=O)OCc1ccccc1)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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