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202996-97-2 | Benzene, [[(3-methyl-1-buten-1-yl)oxy]methyl]-
CAS No: 202996-97-2 Catalog No: AG0028M8 MDL No:
Product Description
Catalog Number:
AG0028M8
Chemical Name:
Benzene, [[(3-methyl-1-buten-1-yl)oxy]methyl]-
CAS Number:
202996-97-2
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
3-methylbut-1-enoxymethylbenzene
InChI:
InChI=1S/C12H16O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChI Key:
DLRODDIHSJLPNK-UHFFFAOYSA-N
SMILES:
CC(C=COCc1ccccc1)C
Properties
Complexity:
143
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:
1
XLogP3:
3.3
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