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89037-00-3 | Cyclohexanol, 1-[methoxy(phenylthio)methyl]-, acetate
CAS No: 89037-00-3 Catalog No: AG00428D MDL No:
Product Description
Catalog Number:
AG00428D
Chemical Name:
Cyclohexanol, 1-[methoxy(phenylthio)methyl]-, acetate
CAS Number:
89037-00-3
Molecular Formula:
C16H24O4S
Molecular Weight:
312.4244
IUPAC Name:
acetic acid;1-[methoxy(phenylsulfanyl)methyl]cyclohexan-1-ol
InChI:
InChI=1S/C14H20O2S.C2H4O2/c1-16-13(14(15)10-6-3-7-11-14)17-12-8-4-2-5-9-12;1-2(3)4/h2,4-5,8-9,13,15H,3,6-7,10-11H2,1H3;1H3,(H,3,4)
InChI Key:
YEHYYGKZXVUZNM-UHFFFAOYSA-N
SMILES:
CC(=O)O.COC(C1(O)CCCCC1)Sc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.14g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.424g/mol
Monoisotopic Mass:
312.14g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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