1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalene

2.1.2 InChI

InChI=1S/C14H14/c1-10-6-7-12-9-8-11-4-2-3-5-13(11)14(10)12/h2-5,8-10H,6-7H2,1H3

2.1.3 InChI Key

IWXGSEQBSRTUAF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1CCC2=C1C3=CC=CC=C3C=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 110141-82-7

2. Dtxsid90551435

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₄
Molecular Weight	182.26 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	182.109550447 g/mol
Monoisotopic Mass	182.109550447 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	208
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Benzindene, Dihydromethyl-