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5-methyl-1H-indene

HCID 81997
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
7480-80-0
Standard SMILES
Cc1ccc2c(c1)C=CC2
InChIKey
YLHSETDFVAXPRB-UHFFFAOYSA-N
Molecular formula
C10H10
Average molar mass
130.19 g/mol
Monoisotopic mass
130.07825032

Names & identifiers

Preferred name
5-methyl-1H-indene
IUPAC
5-methyl-1H-indene
English name
5-METHYL-1H-INDENE
Molecular formula
C10H10
Molecular weight
130.19

Names & synonyms

5-Methyl-1H-indene7480-80-0EINECS 231-286-7DTXSID00225771RefChem:103098DTXCID30148262231-286-71H-Indene, 5-methyl-5-methylindeneNM6GZ4UN8NSCHEMBL215268SCHEMBL385687
Show more names
indene,5-methyl-
SCHEMBL386586SCHEMBL924411SCHEMBL924413SCHEMBL2965079SCHEMBL2968159SCHEMBL2969779AKOS006286981NS00022746

Database identifiers

CAS
7480-80-0
PubChem CID
81997
DTXSID
DTXSID00225771
UNII
NM6GZ4UN8N
EC Number
231-286-7
Nikkaji
J278.884E

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
146

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Boiling point
90 °C · 90 °C(Press: 17 Torr)
Density
0.971 g/cm3 · 0.971 g/cm3(Temp: 25 °C)

Chemistry & industry

Upstream & downstream products

Downstream products

7-methylisoquinoline

Suppliers1 total

BOULDER[email protected]

Related reactions

8 records
New reaction record
HRID 91984 reaction equation
HRID 91984As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 501908 reaction equation
HRID 501908As productuspto-grants-2010_08
HRID 501909 reaction equation
HRID 501909As reactantuspto-grants-2010_08
HRID 1012033 reaction equation
HRID 1012033As productuspto-grants-2011_07
HRID 1012034 reaction equation
HRID 1012034As reactantuspto-grants-2011_07
HRID 1228341 reaction equation
HRID 1228341As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1270681 reaction equation
HRID 1270681As productuspto-grants-2007_04
HRID 1270682 reaction equation
HRID 1270682As reactantuspto-grants-2007_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes