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160669-42-1 | 1H-Indene-5-acetic acid, 2,3-dihydro-2,2,4,6-tetramethyl-
CAS No: 160669-42-1 Catalog No: AG001S41 MDL No:
Product Description
Catalog Number:
AG001S41
Chemical Name:
1H-Indene-5-acetic acid, 2,3-dihydro-2,2,4,6-tetramethyl-
CAS Number:
160669-42-1
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
IUPAC Name:
2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)acetic acid
InChI:
InChI=1S/C15H20O2/c1-9-5-11-7-15(3,4)8-13(11)10(2)12(9)6-14(16)17/h5H,6-8H2,1-4H3,(H,16,17)
InChI Key:
RUKJTIXKKLTWQD-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)cc2c(c1C)CC(C2)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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