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756900-95-5 | 1H-Inden-1-one, 3-(2,3-dihydroxyphenyl)-2,3-dihydro-
CAS No: 756900-95-5 Catalog No: AG005IUD MDL No:
Product Description
Catalog Number:
AG005IUD
Chemical Name:
1H-Inden-1-one, 3-(2,3-dihydroxyphenyl)-2,3-dihydro-
CAS Number:
756900-95-5
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
IUPAC Name:
3-(2,3-dihydroxyphenyl)-2,3-dihydroinden-1-one
InChI:
InChI=1S/C15H12O3/c16-13-7-3-6-11(15(13)18)12-8-14(17)10-5-2-1-4-9(10)12/h1-7,12,16,18H,8H2
InChI Key:
FWXYOVKOUZLVKC-UHFFFAOYSA-N
SMILES:
O=C1CC(c2c1cccc2)c1cccc(c1O)O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.258g/mol
Monoisotopic Mass:
240.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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