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114085-79-9 | Benzene, 1,2,3-trimethoxy-5-pentyl-
CAS No: 114085-79-9 Catalog No: AG000AJ1 MDL No:
Product Description
Catalog Number:
AG000AJ1
Chemical Name:
Benzene, 1,2,3-trimethoxy-5-pentyl-
CAS Number:
114085-79-9
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
1,2,3-trimethoxy-5-pentylbenzene
InChI:
InChI=1S/C14H22O3/c1-5-6-7-8-11-9-12(15-2)14(17-4)13(10-11)16-3/h9-10H,5-8H2,1-4H3
InChI Key:
JPHFRTBJLUHRLH-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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