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887304-92-9 | 1,3-DIOXOLAN-4-ONE, 5-(4-CHLOROPHENYL)-5-METHYL-2-(1-NAPHTHALENYL)-, (2R,5R)-
CAS No: 887304-92-9 Catalog No: AG0045J8 MDL No:
Product Description
Catalog Number:
AG0045J8
Chemical Name:
1,3-DIOXOLAN-4-ONE, 5-(4-CHLOROPHENYL)-5-METHYL-2-(1-NAPHTHALENYL)-, (2R,5R)-
CAS Number:
887304-92-9
Molecular Formula:
C20H15ClO3
Molecular Weight:
338.7843
IUPAC Name:
(2R,5R)-5-(4-chlorophenyl)-5-methyl-2-naphthalen-1-yl-1,3-dioxolan-4-one
InChI:
InChI=1S/C20H15ClO3/c1-20(14-9-11-15(21)12-10-14)19(22)23-18(24-20)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18H,1H3/t18-,20+/m0/s1
InChI Key:
XUYDCLDIIMVFPI-AZUAARDMSA-N
SMILES:
Clc1ccc(cc1)[C@@]1(C)O[C@H](OC1=O)c1cccc2c1cccc2
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
338.071g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.787g/mol
Monoisotopic Mass:
338.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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