Methyl inden-3-ylacetate

HCID 14316632
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Basic information

CAS
121929-95-1
Standard SMILES
COC(=O)CC1=CCc2ccccc21
InChIKey
PASIDZJGOCPTGW-UHFFFAOYSA-N
Molecular formula
C12H12O2
Average molar mass
188.22 g/mol
Monoisotopic mass
188.08372962

Names & identifiers

Preferred name
Methyl inden-3-ylacetate
IUPAC
methyl 2-(3H-inden-1-yl)acetate

Names & synonyms

121929-95-1Methyl inden-3-ylacetateMethyl inden-3 -ylacetateMethyl 1H-indene-3-acetateSCHEMBL7926119Methyl (1H-inden-3-yl)acetatePASIDZJGOCPTGW-UHFFFAOYSA-NDTXSID001311460

Database identifiers

CAS
121929-95-1
PubChem CID
14316632
DTXSID
DTXSID001311460
Nikkaji
J2.712.300G

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
14

Related reactions

5 records
New reaction record

Compound notes

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