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6143-29-9 molecular structure
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bicyclo[2.2.1]hept-5-en-2-yl acetate

ChemBase ID: 80410
Molecular Formular: C9H12O2
Molecular Mass: 152.19038
Monoisotopic Mass: 152.08372962
SMILES and InChIs

SMILES:
O(C1C2C=CC(C1)C2)C(=O)C
Canonical SMILES:
CC(=O)OC1CC2CC1C=C2
InChI:
InChI=1S/C9H12O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3
InChIKey:
DRWRVXAXXGJZIO-UHFFFAOYSA-N

Cite this record

CBID:80410 http://www.chembase.cn/molecule-80410.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bicyclo[2.2.1]hept-5-en-2-yl acetate
IUPAC Traditional name
bicyclo[2.2.1]hept-5-en-2-yl acetate
Synonyms
bicyclo[2.2.1]hept-5-en-2-yl acetate
5-NORBORNEN-2-YL ACETATE
5-Norbornene-2-yl acetate
Acetic acid 5-norbornen-2-yl ester
5-Norbornen-2-yl acetate, mixture of endo and exo
CAS Number
6143-29-9
EC Number
288-144-1
228-144-1
MDL Number
MFCD00167565
PubChem SID
162067530
PubChem CID
95688

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1035945  LogD (pH = 7.4) 1.1035945 
Log P 1.1035945  Molar Refractivity 42.1606 cm3
Polarizability 16.375399 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
73-76°C/14mm expand Show data source
Flash Point
62°C(144°F) expand Show data source
Density
1.044 expand Show data source
Refractive Index
1.47 expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05222833 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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