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88633-36-7 | 2-Cyclohexen-1-one, 5-(2,3-dihydro-2-methyl-1H-inden-5-yl)-3-hydroxy-
CAS No: 88633-36-7 Catalog No: AG004BH2 MDL No:
Product Description
Catalog Number:
AG004BH2
Chemical Name:
2-Cyclohexen-1-one, 5-(2,3-dihydro-2-methyl-1H-inden-5-yl)-3-hydroxy-
CAS Number:
88633-36-7
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
IUPAC Name:
3-hydroxy-5-(2-methyl-2,3-dihydro-1H-inden-5-yl)cyclohex-2-en-1-one
InChI:
InChI=1S/C16H18O2/c1-10-4-11-2-3-12(6-13(11)5-10)14-7-15(17)9-16(18)8-14/h2-3,6,9-10,14,17H,4-5,7-8H2,1H3
InChI Key:
MIESKBFPMBJWNF-UHFFFAOYSA-N
SMILES:
OC1=CC(=O)CC(C1)c1ccc2c(c1)CC(C2)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.318g/mol
Monoisotopic Mass:
242.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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