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26164-08-9

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Basic Information
CAS No.: 26164-08-9
Name: 3,4-dihydro-4-methyl-1H-2-benzopyran
Article Data: 8
Molecular Structure:
Molecular Structure of 26164-08-9 (3,4-dihydro-4-methyl-1H-2-benzopyran)
Formula: C10H12O
Molecular Weight: 148.205
Synonyms: Isochroman,4-methyl- (6CI,8CI);4-Methylisochroman;4-Methyl-3,4-dihydro-1H-isochromene;3,4-Dihydro-4-methyl-1H-2-benzopyran;
EINECS: 247-490-4
Density: 1.006 g/cm3
Boiling Point: 234.7 °C at 760 mmHg
Flash Point: 91.3 °C
PSA: 9.23000
LogP: 2.32030
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Specification

The 1H-2-Benzopyran,3,4-dihydro-4-methyl-, with the CAS registry number 26164-08-9, is also known as 3,4-Dihydro-4-methyl-1H-2-benzopyran. Its EINECS number is 247-490-4. This chemical's molecular formula is C10H12O and molecular weight is 148.2. What's more, its systematic name is 4-methyl-3,4-dihydro-1H-isochromene.

Physical properties of 1H-2-Benzopyran,3,4-dihydro-4-methyl- are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 51.26; (6)ACD/BCF (pH 7.4): 51.26; (7)ACD/KOC (pH 5.5): 582.75; (8)ACD/KOC (pH 7.4): 582.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 44.74 cm3; (15)Molar Volume: 147.2 cm3; (16)Polarizability: 17.73×10-24cm3; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 1.006 g/cm3; (19)Flash Point: 91.3 °C; (20)Enthalpy of Vaporization: 45.23 kJ/mol; (21)Boiling Point: 234.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0797 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O2Cc1c(cccc1)C(C2)C
(2)InChI: InChI=1S/C10H12O/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-5,8H,6-7H2,1H3
(3)InChIKey: KFOXDILMEHCWMS-UHFFFAOYSA-N