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270-53-1 molecular structure
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2H-indene

ChemBase ID: 127897
Molecular Formular: C9H8
Molecular Mass: 116.15982
Monoisotopic Mass: 116.06260026
SMILES and InChIs

SMILES:
c12=CCC=c1cccc2
Canonical SMILES:
C1C=c2c(=C1)cccc2
InChI:
InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-7H,3H2
InChIKey:
BQTJMKIHKULPCZ-UHFFFAOYSA-N

Cite this record

CBID:127897 http://www.chembase.cn/molecule-127897.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2H-indene
IUPAC Traditional name
2H-indene
Synonyms
2H-Isoindene
Isoindene
CAS Number
270-53-1
PubChem SID
162222214
PubChem CID
444084
Wikipedia Title
Isoindene

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 14.821305 
H Acceptors H Donor
LogD (pH = 5.5) 1.6872907  LogD (pH = 7.4) 1.6872907 
Log P 1.6872907  Molar Refractivity 43.4352 cm3
Polarizability 14.964704 Å3

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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