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CHEMISTRY

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Chemistry

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Also known as:

Molecular Formula

C₁₃H₁₆O₂

Molecular Weight

204.26 g/mol

InChI Key

RVUNMGGGOHXNHZ-UHFFFAOYSA-N

CAS 1642873-03-7

1 2D Structure

CAS 1642873-03-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-ethyl-6-methoxy-2-methyl-1H-inden-5-ol

2.1.2 InChI

InChI=1S/C13H16O2/c1-4-10-8(2)5-9-6-13(15-3)12(14)7-11(9)10/h6-7,14H,4-5H2,1-3H3

2.1.3 InChI Key

RVUNMGGGOHXNHZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC1=C(CC2=CC(=C(C=C21)O)OC)C

2.2 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆O₂
Molecular Weight	204.26 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	204.115029749 g/mol
Monoisotopic Mass	204.115029749 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	270
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

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