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24463-78-3 | Phenethyl alcohol, α-methyl-β-(methylsulfonyl)-, erythro- (8CI)
CAS No: 24463-78-3 Catalog No: AG002O89 MDL No:
Product Description
Catalog Number:
AG002O89
Chemical Name:
Phenethyl alcohol, α-methyl-β-(methylsulfonyl)-, erythro- (8CI)
CAS Number:
24463-78-3
Molecular Formula:
C10H14O3S
Molecular Weight:
214.2814
IUPAC Name:
1-methylsulfonyl-1-phenylpropan-2-ol
InChI:
InChI=1S/C10H14O3S/c1-8(11)10(14(2,12)13)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3
InChI Key:
KADMBHWTDUSWJI-UHFFFAOYSA-N
SMILES:
CC(C(S(=O)(=O)C)c1ccccc1)O
NSC Number:
140350
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.279g/mol
Monoisotopic Mass:
214.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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