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209622-45-7 | 1,2-Ethanediol, 1-(1-naphthalenyl)-, (1S)-
CAS No: 209622-45-7 Catalog No: AG002KC2 MDL No:
Product Description
Catalog Number:
AG002KC2
Chemical Name:
1,2-Ethanediol, 1-(1-naphthalenyl)-, (1S)-
CAS Number:
209622-45-7
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
(1S)-1-naphthalen-1-ylethane-1,2-diol
InChI:
InChI=1S/C12H12O2/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-14H,8H2/t12-/m1/s1
InChI Key:
DIUGLBPPQLGORR-GFCCVEGCSA-N
SMILES:
OC[C@H](c1cccc2c1cccc2)O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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