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Basic Information
CAS No.: 13173-09-6
Name: (+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one
Molecular Structure:
Molecular Structure of 13173-09-6 ((+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one)
Formula: C7H8 O
Molecular Weight: 108.14
Synonyms: (?à)-Bicyclo[3.2.0]hept-2-en-6-one;NSC 167981
Density: 1.025
Boiling Point: 158-160 ºC
Flash Point: 66.3°C
Hazard Symbols:
Risk Codes: R22;R37/38;R41   
Safety: S26;S39
PSA: 17.07000
LogP: 1.15150
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    Formula: C7H8 OMolecular Weight : 108.14 Synonyms: ( à)-Bicyclo[3.2.0]hept-2-en-6-one;NSC 167981 EINECS: Density: 1.025Melting Point:Boiling Point: 158-160 oC Application: C7 to C8;Carbonyl Compounds;Ketones

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Chemistry

Molecule structure of (+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one (CAS NO.13173-09-6):

IUPAC Name: (1R,5S)-Bicyclo[3.2.0]hept-3-en-7-one 
Molecular Weight: 108.13782 [g/mol]
Molecular Formula: C7H8O 
Index of Refraction: 1.545
Molar Refractivity: 30.06 cm3
Molar Volume: 95 cm3
Surface Tension: 40.7 dyne/cm
Density: 1.138 g/cm3
Flash Point: 66.3 °C
Enthalpy of Vaporization: 42.28 kJ/mol
Boiling Point: 186.6 °C at 760 mmHg
Vapour Pressure: 0.658 mmHg at 25 °C 
Sensitive: air sensitive
XLogP3-AA: 0.7
H-Bond Acceptor: 1
Tautomer Count: 3
Exact Mass: 108.057515
MonoIsotopic Mass: 108.057515
Topological Polar Surface Area: 17.1
Heavy Atom Count: 8
Canonical SMILES: C1C=CC2C1C(=O)C2
Isomeric SMILES: C1C=C[C@H]2[C@@H]1C(=O)C2
InChI: InChI=1S/C7H8O/c8-7-4-5-2-1-3-6(5)7/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChIKey: LNLLHUHPGPKRBM-PHDIDXHHSA-N
Product Categories of (+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one (CAS NO.13173-09-6): C7 to C8; Carbonyl Compounds; Ketones

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-37/38-41 
R22:Harmful if swallowed. 
R37/38:Irritating to respiratory system and skin. 
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S39:Wear eye / face protection.
RIDADR: UN1224
WGK Germany: 3
F: 10-23
HazardClass: 3
PackingGroup: III

Specification

 (+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one (CAS NO.13173-09-6) is also named as Bicyclo[3.2.0]hept-2-en-6-one .