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477558-79-5 | 3-Oxazolidinepentanoic acid,d,2-dioxo-4-phenyl-,Methyl ester,(4S)-
CAS No: 477558-79-5 Catalog No: AG00DBE0 MDL No:MFCD22418903
Product Description
Catalog Number:
AG00DBE0
Chemical Name:
3-Oxazolidinepentanoic acid,d,2-dioxo-4-phenyl-,Methyl ester,(4S)-
CAS Number:
477558-79-5
Molecular Formula:
C15H17NO5
Molecular Weight:
291.2992
MDL Number:
MFCD22418903
IUPAC Name:
methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate
InChI:
InChI=1S/C15H17NO5/c1-20-14(18)9-5-8-13(17)16-12(10-21-15(16)19)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m1/s1
InChI Key:
BKIAMCGCOYQVPC-GFCCVEGCSA-N
SMILES:
COC(=O)CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.303g/mol
Monoisotopic Mass:
291.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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