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15852-34-3 | 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2,5-DIHYDROXY-
CAS No: 15852-34-3 Catalog No: AG001QA0 MDL No:MFCD01734399
Product Description
Catalog Number:
AG001QA0
Chemical Name:
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2,5-DIHYDROXY-
CAS Number:
15852-34-3
Molecular Formula:
C7H6O3
Molecular Weight:
138.1207
MDL Number:
MFCD01734399
IUPAC Name:
4,5-dihydroxycyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C7H6O3/c8-5-1-3-6(9)7(10)4-2-5/h1-4,9-10H
InChI Key:
RHKLONPUIWSHCD-UHFFFAOYSA-N
SMILES:
Oc1ccc(=O)c(cc1)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.122g/mol
Monoisotopic Mass:
138.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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