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1199782-69-8 | 1H-Inden-1-one, 7-chloro-2,3-dihydro-5-hydroxy-
CAS No: 1199782-69-8 Catalog No: AG000PXW MDL No:MFCD09908165
Product Description
Catalog Number:
AG000PXW
Chemical Name:
1H-Inden-1-one, 7-chloro-2,3-dihydro-5-hydroxy-
CAS Number:
1199782-69-8
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
MDL Number:
MFCD09908165
IUPAC Name:
7-chloro-5-hydroxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H7ClO2/c10-7-4-6(11)3-5-1-2-8(12)9(5)7/h3-4,11H,1-2H2
InChI Key:
KDRCVDSYTJRFMF-UHFFFAOYSA-N
SMILES:
Oc1cc(Cl)c2c(c1)CCC2=O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.603g/mol
Monoisotopic Mass:
182.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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