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23446-55-1 | Benzene, 1-methyl-4-(3-methylbutoxy)-
CAS No: 23446-55-1 Catalog No: AG002N9Z MDL No:
Product Description
Catalog Number:
AG002N9Z
Chemical Name:
Benzene, 1-methyl-4-(3-methylbutoxy)-
CAS Number:
23446-55-1
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
1-methyl-4-(3-methylbutoxy)benzene
InChI:
InChI=1S/C12H18O/c1-10(2)8-9-13-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3
InChI Key:
BGMZYLDJORRZMQ-UHFFFAOYSA-N
SMILES:
CC(CCOc1ccc(cc1)C)C
EC Number:
245-664-4
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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