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12408-12-7 | 1,2-Benzenediol, (2-propen-1-yl)-
CAS No: 12408-12-7 Catalog No: AG000LJP MDL No:
Product Description
Catalog Number:
AG000LJP
Chemical Name:
1,2-Benzenediol, (2-propen-1-yl)-
CAS Number:
12408-12-7
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
3-prop-2-enylbenzene-1,2-diol
InChI:
InChI=1S/C9H10O2/c1-2-4-7-5-3-6-8(10)9(7)11/h2-3,5-6,10-11H,1,4H2
InChI Key:
PARWTEYYJSDGQM-UHFFFAOYSA-N
SMILES:
Oc1c(CC=C)cccc1O
NSC Number:
157714
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
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| Prize sessions. | Indian journal of pharmacology 20081001 |
| Anti-inflammatory effect of allylpyrocatechol in LPS-induced macrophages is mediated by suppression of iNOS and COX-2 via the NF-kappaB pathway. | International immunopharmacology 20080901 |
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