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124702-80-3

124702-80-3 | 1H-Inden-1-one, 2,3-dihydro-5,6-dihydroxy-

CAS No: 124702-80-3 Catalog No: AG000MNT MDL No:MFCD12756505

Product Description

Catalog Number:
AG000MNT
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-5,6-dihydroxy-
CAS Number:
124702-80-3
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD12756505
IUPAC Name:
5,6-dihydroxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H8O3/c10-7-2-1-5-3-8(11)9(12)4-6(5)7/h3-4,11-12H,1-2H2
InChI Key:
WMDAUVLSCBKCBO-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1cc(O)c(c2)O

Properties

Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Literature

Title Journal
Simple and regioselective bromination of 5,6-disubstituted-indan-1-ones with Br2 under acidic and basic conditions. Molecules (Basel, Switzerland) 20070129

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