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88357-24-8 | Ethanol, 2-[[4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenyl]thio]-
CAS No: 88357-24-8 Catalog No: AG00457R MDL No:
Product Description
Catalog Number:
AG00457R
Chemical Name:
Ethanol, 2-[[4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenyl]thio]-
CAS Number:
88357-24-8
Molecular Formula:
C13H18O3S
Molecular Weight:
254.3452
IUPAC Name:
2-[4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenyl]sulfanylethanol
InChI:
InChI=1S/C13H18O3S/c1-13(15-7-8-16-13)10-11-2-4-12(5-3-11)17-9-6-14/h2-5,14H,6-10H2,1H3
InChI Key:
RATQGOKBISCLSP-UHFFFAOYSA-N
SMILES:
OCCSc1ccc(cc1)CC1(C)OCCO1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.344g/mol
Monoisotopic Mass:
254.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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