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100971-92-4 | 1H-Indene-5-carboxylic acid, 2,3-dihydro-1,1,3,3-tetramethyl-
CAS No: 100971-92-4 Catalog No: AG0003C3 MDL No:
Product Description
Catalog Number:
AG0003C3
Chemical Name:
1H-Indene-5-carboxylic acid, 2,3-dihydro-1,1,3,3-tetramethyl-
CAS Number:
100971-92-4
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
1,1,3,3-tetramethyl-2H-indene-5-carboxylic acid
InChI:
InChI=1S/C14H18O2/c1-13(2)8-14(3,4)11-7-9(12(15)16)5-6-10(11)13/h5-7H,8H2,1-4H3,(H,15,16)
InChI Key:
LOGJNALLOWJWGG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)C(C)(C)CC2(C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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