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18272-82-7 | Benzene, 1-(1-ethylpropyl)-4-methoxy-
CAS No: 18272-82-7 Catalog No: AG002449 MDL No:
Product Description
Catalog Number:
AG002449
Chemical Name:
Benzene, 1-(1-ethylpropyl)-4-methoxy-
CAS Number:
18272-82-7
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
1-methoxy-4-pentan-3-ylbenzene
InChI:
InChI=1S/C12H18O/c1-4-10(5-2)11-6-8-12(13-3)9-7-11/h6-10H,4-5H2,1-3H3
InChI Key:
HHKAVHVGMCCNKZ-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)OC)CC
Properties
Complexity:
121
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:
4.5
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