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Basic Information
CAS No.: 85199-88-8
Name: bicyclo[2.2.1]heptanedicarbaldehyde
Molecular Structure:
Molecular Structure of 85199-88-8 (bicyclo[2.2.1]heptanedicarbaldehyde)
Formula: C9H12O2
Molecular Weight: 152.19038
Synonyms: bicyclo[2.2.1]heptanedicarbaldehyde;Einecs 286-223-6
EINECS: 286-223-6
Density: 1.345 g/cm3
Boiling Point: 238.2 °C at 760 mmHg
Flash Point: 87 °C
PSA: 34.14000
LogP: 1.19060
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Specification

The Bicyclo[2.2.1]heptane-2,?-dicarboxaldehyde, with the CAS registry number 85199-88-8, is also known as Norbornane-1,2-dicarbaldehyde. Its EINECS registry number is 286-223-6. This chemical's molecular formula is C9H12O2 and molecular weight is 152.1904. What's more, its IUPAC name is Bicyclo[2.2.1]heptane-3,4-dicarbaldehyde.

Physical properties about Bicyclo[2.2.1]heptane-2,?-dicarboxaldehyde are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.74; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 34.14 Å2; (9)Index of Refraction: 1.694; (10)Molar Refractivity: 43.45 cm3; (11)Molar Volume: 113.1 cm3; (12)Polarizability: 17.22×10-24cm3; (13)Surface Tension: 65.4 dyne/cm; (14)Density: 1.345 g/cm3; (15)Flash Point: 87 °C; (16)Enthalpy of Vaporization: 47.51 kJ/mol; (17)Boiling Point: 238.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0429 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CC21CC(CC1C=O)CC2
(2) InChI: InChI=1/C9H12O2/c10-5-8-3-7-1-2-9(8,4-7)6-11/h5-8H,1-4H2
(3) InChIKey: BUBNLSKXZYDNHK-UHFFFAOYAC