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80986-11-4 | Phenol, 3,5-dimethoxy-2-propyl-
CAS No: 80986-11-4 Catalog No: AG0050HD MDL No:
Product Description
Catalog Number:
AG0050HD
Chemical Name:
Phenol, 3,5-dimethoxy-2-propyl-
CAS Number:
80986-11-4
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
3,5-dimethoxy-2-propylphenol
InChI:
InChI=1S/C11H16O3/c1-4-5-9-10(12)6-8(13-2)7-11(9)14-3/h6-7,12H,4-5H2,1-3H3
InChI Key:
KMZWDKAHTYTVLV-UHFFFAOYSA-N
SMILES:
CCCc1c(O)cc(cc1OC)OC
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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