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20481-17-8 | 1,2,3-Benzenetriol, 5-(1,1-dimethylethyl)-
CAS No: 20481-17-8 Catalog No: AG0029PG MDL No:MFCD00059613
Product Description
Catalog Number:
AG0029PG
Chemical Name:
1,2,3-Benzenetriol, 5-(1,1-dimethylethyl)-
CAS Number:
20481-17-8
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
MDL Number:
MFCD00059613
IUPAC Name:
5-tert-butylbenzene-1,2,3-triol
InChI:
InChI=1S/C10H14O3/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,1-3H3
InChI Key:
HCNISNCKPIVZDX-UHFFFAOYSA-N
SMILES:
Oc1c(O)cc(cc1O)C(C)(C)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| [Observation on scavenging free radical function of Artemisia burning products]. | Zhongguo zhen jiu = Chinese acupuncture & moxibustion 20090701 |
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