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229185-00-6 | 1,2-Ethanediol, 2-(1-naphthalenyl)-1-(2-naphthalenyl)-, (1S,2S)-
CAS No: 229185-00-6 Catalog No: AG002LHL MDL No:
Product Description
Catalog Number:
AG002LHL
Chemical Name:
1,2-Ethanediol, 2-(1-naphthalenyl)-1-(2-naphthalenyl)-, (1S,2S)-
CAS Number:
229185-00-6
Molecular Formula:
C22H18O2
Molecular Weight:
314.3771
IUPAC Name:
(1S,2S)-1-naphthalen-1-yl-2-naphthalen-2-ylethane-1,2-diol
InChI:
InChI=1S/C22H18O2/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(24)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,21-24H/t21-,22-/m0/s1
InChI Key:
RSFIBRKJSPSKFZ-VXKWHMMOSA-N
SMILES:
O[C@H]([C@H](c1cccc2c1cccc2)O)c1ccc2c(c1)cccc2
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
314.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.384g/mol
Monoisotopic Mass:
314.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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