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53590-28-6 molecular structure
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prop-2-yn-1-ylidyne

ChemBase ID: 129139
Molecular Formular: C3H
Molecular Mass: 37.04004
Monoisotopic Mass: 37.00782503
SMILES and InChIs

SMILES:
[C]C#C
Canonical SMILES:
[C]C#C
InChI:
InChI=1S/C3H/c1-3-2/h1H
InChIKey:
WWDRUPNDOSDMRD-UHFFFAOYSA-N

Cite this record

CBID:129139 http://www.chembase.cn/molecule-129139.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
prop-2-yn-1-ylidyne
IUPAC Traditional name
propynylidyne
Synonyms
2-Propyn-1-ylidyne
2-Propynylidyne
Propynylidyne
CAS Number
53590-28-6
PubChem SID
162223438
PubChem CID
6335
Wikipedia Title
Propynylidyne

DATA SOURCES

DATA SOURCES

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.3627  LogD (pH = 7.4) 0.3627 
Log P 0.3627  Molar Refractivity 11.2647 cm3
Polarizability 4.6679573 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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