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87147-92-0 | 2,5-Oxazolidinedione, 4-(1-pyrenylmethyl)-, (S)-
CAS No: 87147-92-0 Catalog No: AG008FAN MDL No:
Product Description
Catalog Number:
AG008FAN
Chemical Name:
2,5-Oxazolidinedione, 4-(1-pyrenylmethyl)-, (S)-
CAS Number:
87147-92-0
Molecular Formula:
C20H13NO3
Molecular Weight:
315.3221
IUPAC Name:
(4S)-4-(pyren-1-ylmethyl)-1,3-oxazolidine-2,5-dione
InChI:
InChI=1S/C20H13NO3/c22-19-16(21-20(23)24-19)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-9,16H,10H2,(H,21,23)/t16-/m0/s1
InChI Key:
JGUQQVKFGOBHPS-INIZCTEOSA-N
SMILES:
O=C1N[C@H](C(=O)O1)Cc1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
315.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.328g/mol
Monoisotopic Mass:
315.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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