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26110-92-9 | Benzene, 1-(2,2-dimethylpropyl)-4-methoxy-
CAS No: 26110-92-9 Catalog No: AG002RPO MDL No:
Product Description
Catalog Number:
AG002RPO
Chemical Name:
Benzene, 1-(2,2-dimethylpropyl)-4-methoxy-
CAS Number:
26110-92-9
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
1-(2,2-dimethylpropyl)-4-methoxybenzene
InChI:
InChI=1S/C12H18O/c1-12(2,3)9-10-5-7-11(13-4)8-6-10/h5-8H,9H2,1-4H3
InChI Key:
NQXBGRMIOCFRQC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(C)(C)C
Properties
Complexity:
138
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:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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