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116174-28-8 | Benzene, 1,2-dimethoxy-4-(4-penten-1-yl)-
CAS No: 116174-28-8 Catalog No: AG000BU0 MDL No:
Product Description
Catalog Number:
AG000BU0
Chemical Name:
Benzene, 1,2-dimethoxy-4-(4-penten-1-yl)-
CAS Number:
116174-28-8
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
1,2-dimethoxy-4-pent-4-enylbenzene
InChI:
InChI=1S/C13H18O2/c1-4-5-6-7-11-8-9-12(14-2)13(10-11)15-3/h4,8-10H,1,5-7H2,2-3H3
InChI Key:
NGRJWXATUJITML-UHFFFAOYSA-N
SMILES:
C=CCCCc1ccc(c(c1)OC)OC
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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