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86253-83-0 | [1,1'-Biphenyl]-2-carboxylic acid, 2',6,6'-trimethoxy-5-methyl-4'-pentyl-
CAS No: 86253-83-0 Catalog No: AG004S22 MDL No:
Product Description
Catalog Number:
AG004S22
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 2',6,6'-trimethoxy-5-methyl-4'-pentyl-
CAS Number:
86253-83-0
Molecular Formula:
C22H28O5
Molecular Weight:
372.4547
IUPAC Name:
2-(2,6-dimethoxy-4-pentylphenyl)-3-methoxy-4-methylbenzoic acid
InChI:
InChI=1S/C22H28O5/c1-6-7-8-9-15-12-17(25-3)20(18(13-15)26-4)19-16(22(23)24)11-10-14(2)21(19)27-5/h10-13H,6-9H2,1-5H3,(H,23,24)
InChI Key:
VAHPIDNBKAMWCV-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(OC)c(c(c1)OC)c1c(ccc(c1OC)C)C(=O)O
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.194g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.461g/mol
Monoisotopic Mass:
372.194g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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