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18272-85-0 | Benzene, 1-methoxy-2-(3-methyl-3-buten-1-yl)-
CAS No: 18272-85-0 Catalog No: AG002447 MDL No:
Product Description
Catalog Number:
AG002447
Chemical Name:
Benzene, 1-methoxy-2-(3-methyl-3-buten-1-yl)-
CAS Number:
18272-85-0
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
1-methoxy-2-(3-methylbut-3-enyl)benzene
InChI:
InChI=1S/C12H16O/c1-10(2)8-9-11-6-4-5-7-12(11)13-3/h4-7H,1,8-9H2,2-3H3
InChI Key:
IINXAZCHKJVJSX-UHFFFAOYSA-N
SMILES:
COc1ccccc1CCC(=C)C
Properties
Complexity:
163
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:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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