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877474-23-2 | 2-Naphthalenecarboxylic acid, 3-dodecyl-1,8-dihydroxy-
CAS No: 877474-23-2 Catalog No: AG004IML MDL No:
Product Description
Catalog Number:
AG004IML
Chemical Name:
2-Naphthalenecarboxylic acid, 3-dodecyl-1,8-dihydroxy-
CAS Number:
877474-23-2
Molecular Formula:
C23H32O4
Molecular Weight:
372.4978
IUPAC Name:
3-dodecyl-1,8-dihydroxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C23H32O4/c1-2-3-4-5-6-7-8-9-10-11-13-18-16-17-14-12-15-19(24)20(17)22(25)21(18)23(26)27/h12,14-16,24-25H,2-11,13H2,1H3,(H,26,27)
InChI Key:
ASXZBBGWKPYAMO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1cc2cccc(c2c(c1C(=O)O)O)O
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.23g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
372.505g/mol
Monoisotopic Mass:
372.23g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
Literature
| Title | Journal |
|---|---|
| Antimycobacterial agents from selected Mexican medicinal plants. | The Journal of pharmacy and pharmacology 20050901 |
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