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16915-32-5 | 1-Azulenesulfonic acid, 3,8-dimethyl-5-(1-methylethyl)-
CAS No: 16915-32-5 Catalog No: AG001YIM MDL No:
Product Description
Catalog Number:
AG001YIM
Chemical Name:
1-Azulenesulfonic acid, 3,8-dimethyl-5-(1-methylethyl)-
CAS Number:
16915-32-5
Molecular Formula:
C15H18O3S
Molecular Weight:
278.3666
IUPAC Name:
3,8-dimethyl-5-propan-2-ylazulene-1-sulfonic acid
InChI:
InChI=1S/C15H18O3S/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18/h5-9H,1-4H3,(H,16,17,18)
InChI Key:
VIZXMHCBZLGUET-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c2c(c1)c(C)cc2S(=O)(=O)O)C)C
UNII:
GR01836V0K
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.366g/mol
Monoisotopic Mass:
278.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Poor awareness of preventing aspirin-induced gastrointestinal injury with combined protective medications. | World journal of gastroenterology 20120628 |
| The molecular immunology of mucositis: implications for evidence-based research in alternative and complementary palliative treatments. | Evidence-based complementary and alternative medicine : eCAM 20051201 |
| [Preventive effects of oren-gedoku-to on mucositis caused by anticancer agents in patients with acute leukemia]. | Gan to kagaku ryoho. Cancer & chemotherapy 20030901 |
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