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Chemistry

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Also known as: 6974-99-8, Nsc22053, 1h-indene,2,3-dihydro-2,4,7-trimethyl-, Dtxsid40281578, Zinc1589737, Nsc-22053
Molecular Formula
C12H16
Molecular Weight
160.25  g/mol
InChI Key
RGNDKSSUUISHGP-UHFFFAOYSA-N

Microcrystalline Cellulose API
1 2D Structure

Microcrystalline Cellulose API

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 Weight 160.25 g/mol
Molecular Formula C12H16
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass160.125200510 g/mol
Monoisotopic Mass160.125200510 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity143
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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