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23446-54-0 | Benzene, 1-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-
CAS No: 23446-54-0 Catalog No: AG002NA0 MDL No:MFCD00460046
Product Description
Catalog Number:
AG002NA0
Chemical Name:
Benzene, 1-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-
CAS Number:
23446-54-0
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD00460046
IUPAC Name:
1-methyl-4-(3-methylbut-2-enoxy)benzene
InChI:
InChI=1S/C12H16O/c1-10(2)8-9-13-12-6-4-11(3)5-7-12/h4-8H,9H2,1-3H3
InChI Key:
NMLCTZQTLIPTLX-UHFFFAOYSA-N
SMILES:
CC(=CCOc1ccc(cc1)C)C
Properties
Complexity:
160
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:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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