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919081-45-1 | 2-Oxazolidinone, 3-(3-acetylphenyl)-5-(hydroxymethyl)-, (5S)-
CAS No: 919081-45-1 Catalog No: AG00690F MDL No:
Product Description
Catalog Number:
AG00690F
Chemical Name:
2-Oxazolidinone, 3-(3-acetylphenyl)-5-(hydroxymethyl)-, (5S)-
CAS Number:
919081-45-1
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
(5S)-3-(3-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H13NO4/c1-8(15)9-3-2-4-10(5-9)13-6-11(7-14)17-12(13)16/h2-5,11,14H,6-7H2,1H3/t11-/m0/s1
InChI Key:
AIISTGMCHFBHHF-NSHDSACASA-N
SMILES:
OC[C@H]1OC(=O)N(C1)c1cccc(c1)C(=O)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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