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28998-51-8 | 1H-Indene-1-carboxylic acid, 5-cyclohexyl-2,3-dihydro-, methyl ester, (S)- (9CI)
CAS No: 28998-51-8 Catalog No: AG002V54 MDL No:
Product Description
Catalog Number:
AG002V54
Chemical Name:
1H-Indene-1-carboxylic acid, 5-cyclohexyl-2,3-dihydro-, methyl ester, (S)- (9CI)
CAS Number:
28998-51-8
Molecular Formula:
C17H22O2
Molecular Weight:
258.3554
IUPAC Name:
methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate
InChI:
InChI=1S/C17H22O2/c1-19-17(18)16-10-8-14-11-13(7-9-15(14)16)12-5-3-2-4-6-12/h7,9,11-12,16H,2-6,8,10H2,1H3
InChI Key:
CPBGSLIVFJMDAK-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H]1CCc2c1ccc(c2)C1CCCCC1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.361g/mol
Monoisotopic Mass:
258.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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