1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4,7-trimethyl-2,3-dihydro-1H-indene

2.1.2 InChI

InChI=1S/C12H16/c1-8-6-11-9(2)4-5-10(3)12(11)7-8/h4-5,8H,6-7H2,1-3H3

2.1.3 InChI Key

RGNDKSSUUISHGP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1CC2=C(C=CC(=C2C1)C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6974-99-8

2. Nsc22053

3. 1h-indene,2,3-dihydro-2,4,7-trimethyl-

4. Dtxsid40281578

5. Zinc1589737

6. Nsc-22053

7. 1h-indene,3-dihydro-2,4,7-trimethyl-

8. Ds-002906

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₆
Molecular Weight	160.25 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	160.125200510 g/mol
Monoisotopic Mass	160.125200510 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	143
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Microcrystalline Cellulose API