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1199782-98-3 | 1H-Inden-1-one, 4-chloro-2,3-dihydro-6-hydroxy-
CAS No: 1199782-98-3 Catalog No: AG000PYP MDL No:MFCD09908140
Product Description
Catalog Number:
AG000PYP
Chemical Name:
1H-Inden-1-one, 4-chloro-2,3-dihydro-6-hydroxy-
CAS Number:
1199782-98-3
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
MDL Number:
MFCD09908140
IUPAC Name:
4-chloro-6-hydroxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H7ClO2/c10-8-4-5(11)3-7-6(8)1-2-9(7)12/h3-4,11H,1-2H2
InChI Key:
VLFBVKKLFXITMO-UHFFFAOYSA-N
SMILES:
Oc1cc(Cl)c2c(c1)C(=O)CC2
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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