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51772-30-6

Basic Information
CAS No.: 51772-30-6
Name: 1-Propanone,1-(3-methylphenyl)-
Article Data: 34
Cas Database
Molecular Structure:
Molecular Structure of 51772-30-6 (1-Propanone,1-(3-methylphenyl)-)
Formula: C10H12O
Molecular Weight: 148.205
Synonyms: Propiophenone,3'-methyl- (7CI);3'-Methylpropiophenone;m-Methylpropiophenone;
EINECS: 257-405-2
Density: 0.963 g/cm3
Melting Point: -4.4°C
Boiling Point: 230.3 °C at 760 mmHg
Flash Point: 98.1 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 17.07000
LogP: 2.58770
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99-04-7
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  • 3'-Methylpropiophenone

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    51772-30-6

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  • 3'-Methylpropiophenone cas  51772-30-6

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    51772-30-6

    3'-Methylpropiophenone cas 51772-30-6

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Specification

The 3'-Methylpropiophenone with the CAS number 51772-30-6 is also called 1-Propanone,1-(3-methylphenyl)-. Both the systematic name and IUPAC name are 1-(3-methylphenyl)propan-1-one. Its EINECS registry number is 257-405-2. The molecular formula is C10H12O.

The properties of the chemical are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.49; (6)ACD/BCF (pH 7.4): 61.49; (7)ACD/KOC (pH 5.5): 663.84; (8)ACD/KOC (pH 7.4): 663.84; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 45.73 cm3; (15)Molar Volume: 153.7 cm3; (16)Polarizability: 18.13×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Enthalpy of Vaporization: 46.7 kJ/mol ; (19)Vapour Pressure: 0.0662 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(ccc1)C)CC
(2)InChI: InChI=1/C10H12O/c1-3-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
(3)InChIKey: QHVNQIJBHWOZRJ-UHFFFAOYAI