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3470-49-3 | 5-Hydroxy-1-indanone
CAS No: 3470-49-3 Catalog No: AG003MSA MDL No:MFCD00857527
Product Description
Catalog Number:
AG003MSA
Chemical Name:
5-Hydroxy-1-indanone
CAS Number:
3470-49-3
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD00857527
IUPAC Name:
5-hydroxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H8O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,10H,1,4H2
InChI Key:
ZRKQOVXGDIZYDS-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CCC2=O
NSC Number:
31249
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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