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28998-48-3 | 1H-Indene-1-carboxylic acid, 5-cyclohexyl-2,3-dihydro-6-hydroxy-
CAS No: 28998-48-3 Catalog No: AG002V55 MDL No:
Product Description
Catalog Number:
AG002V55
Chemical Name:
1H-Indene-1-carboxylic acid, 5-cyclohexyl-2,3-dihydro-6-hydroxy-
CAS Number:
28998-48-3
Molecular Formula:
C16H20O3
Molecular Weight:
260.3282
IUPAC Name:
5-cyclohexyl-6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
InChI:
InChI=1S/C16H20O3/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12,17H,1-7H2,(H,18,19)
InChI Key:
WSKCLYSPBODMHR-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2c1cc(O)c(c2)C1CCCCC1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.333g/mol
Monoisotopic Mass:
260.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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