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105677-60-9 | 1H-Indene-2-acetic acid, 2,3-dihydro-5-methyl-1-phenyl-, trans-
CAS No: 105677-60-9 Catalog No: AG008466 MDL No:
Product Description
Catalog Number:
AG008466
Chemical Name:
1H-Indene-2-acetic acid, 2,3-dihydro-5-methyl-1-phenyl-, trans-
CAS Number:
105677-60-9
Molecular Formula:
C18H18O2
Molecular Weight:
266.3343
IUPAC Name:
2-(5-methyl-1-phenyl-2,3-dihydro-1H-inden-2-yl)acetic acid
InChI:
InChI=1S/C18H18O2/c1-12-7-8-16-14(9-12)10-15(11-17(19)20)18(16)13-5-3-2-4-6-13/h2-9,15,18H,10-11H2,1H3,(H,19,20)
InChI Key:
KYQBDQPTDOLOEW-UHFFFAOYSA-N
SMILES:
OC(=O)C[C@@H]1Cc2c([C@H]1c1ccccc1)ccc(c2)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.34g/mol
Monoisotopic Mass:
266.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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