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14804-37-6 | Benzene, 1-methoxy-2,3,4,5,6-pentamethyl-
CAS No: 14804-37-6 Catalog No: AG001FEB MDL No:
Product Description
Catalog Number:
AG001FEB
Chemical Name:
Benzene, 1-methoxy-2,3,4,5,6-pentamethyl-
CAS Number:
14804-37-6
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
1-methoxy-2,3,4,5,6-pentamethylbenzene
InChI:
InChI=1S/C12H18O/c1-7-8(2)10(4)12(13-6)11(5)9(7)3/h1-6H3
InChI Key:
SNPOZKMCSJMKKV-UHFFFAOYSA-N
SMILES:
COc1c(C)c(C)c(c(c1C)C)C
Properties
Complexity:
151
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:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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