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100256-20-0 | Benzene, 1-(2-propen-1-yl)-2-propoxy-
CAS No: 100256-20-0 Catalog No: AG0001E5 MDL No:
Product Description
Catalog Number:
AG0001E5
Chemical Name:
Benzene, 1-(2-propen-1-yl)-2-propoxy-
CAS Number:
100256-20-0
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
1-prop-2-enyl-2-propoxybenzene
InChI:
InChI=1S/C12H16O/c1-3-7-11-8-5-6-9-12(11)13-10-4-2/h3,5-6,8-9H,1,4,7,10H2,2H3
InChI Key:
ZDCZHCBHMIXNCD-UHFFFAOYSA-N
SMILES:
CCCOc1ccccc1CC=C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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