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887304-84-9 | 1,3-DIOXOLAN-4-ONE, 5-METHYL-2-(1-NAPHTHALENYL)-5-PHENYL-, (2S,5S)-
CAS No: 887304-84-9 Catalog No: AG00452L MDL No:
Product Description
Catalog Number:
AG00452L
Chemical Name:
1,3-DIOXOLAN-4-ONE, 5-METHYL-2-(1-NAPHTHALENYL)-5-PHENYL-, (2S,5S)-
CAS Number:
887304-84-9
Molecular Formula:
C20H16O3
Molecular Weight:
304.3392
IUPAC Name:
(2S,5S)-5-methyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-one
InChI:
InChI=1S/C20H16O3/c1-20(15-10-3-2-4-11-15)19(21)22-18(23-20)17-13-7-9-14-8-5-6-12-16(14)17/h2-13,18H,1H3/t18-,20+/m1/s1
InChI Key:
WLSNWUJNODTASK-QUCCMNQESA-N
SMILES:
O=C1O[C@H](O[C@@]1(C)c1ccccc1)c1cccc2c1cccc2
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
304.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.345g/mol
Monoisotopic Mass:
304.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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