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56264-98-3 molecular structure
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but-1-en-1-ylbenzene

ChemBase ID: 112711
Molecular Formular: C10H12
Molecular Mass: 132.20228
Monoisotopic Mass: 132.09390038
SMILES and InChIs

SMILES:
CC/C=C/c1ccccc1
Canonical SMILES:
CC/C=C/c1ccccc1
InChI:
InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h3-9H,2H2,1H3
InChIKey:
MPMBRWOOISTHJV-UHFFFAOYSA-N

Cite this record

CBID:112711 http://www.chembase.cn/molecule-112711.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
but-1-en-1-ylbenzene
IUPAC Traditional name
but-1-en-1-ylbenzene
Synonyms
trans-1-PHENYL-1-BUTENE
CAS Number
56264-98-3
PubChem SID
162097758
PubChem CID
5370622

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05225460 external link Add to cart Please log in.
Data Source Data ID
PubChem 5370622 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 3.5411515 
LogD (pH = 7.4) 3.5411515  Log P 3.5411515 
Molar Refractivity 46.0188 cm3 Polarizability 17.640097 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05225460 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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