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830320-95-1 | Benzene, 1-methoxy-2-[(1E)-1-octenylthio]-
CAS No: 830320-95-1 Catalog No: AG005DJ2 MDL No:
Product Description
Catalog Number:
AG005DJ2
Chemical Name:
Benzene, 1-methoxy-2-[(1E)-1-octenylthio]-
CAS Number:
830320-95-1
Molecular Formula:
C15H22OS
Molecular Weight:
250.3996
IUPAC Name:
1-methoxy-2-oct-1-enylsulfanylbenzene
InChI:
InChI=1S/C15H22OS/c1-3-4-5-6-7-10-13-17-15-12-9-8-11-14(15)16-2/h8-13H,3-7H2,1-2H3
InChI Key:
AZIFSWAHBRQHHQ-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/Sc1ccccc1OC
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.139g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.4g/mol
Monoisotopic Mass:
250.139g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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