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1379330-88-7 | 1-Allylsulfanyl-2,4-dimethoxybenzene
CAS No: 1379330-88-7 Catalog No: AG01ETH5 MDL No:
Product Description
Catalog Number:
AG01ETH5
Chemical Name:
1-Allylsulfanyl-2,4-dimethoxybenzene
CAS Number:
1379330-88-7
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
IUPAC Name:
2,4-dimethoxy-1-prop-2-enylsulfanylbenzene
InChI:
InChI=1S/C11H14O2S/c1-4-7-14-11-6-5-9(12-2)8-10(11)13-3/h4-6,8H,1,7H2,2-3H3
InChI Key:
ZGZMHWKIPIGZRB-UHFFFAOYSA-N
SMILES:
C=CCSc1ccc(cc1OC)OC
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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