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13095-41-5

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Basic Information
CAS No.: 13095-41-5
Name: BETA-NAPHTHYL PHOSPHATE
Article Data: 7
Molecular Structure:
Molecular Structure of 13095-41-5 (BETA-NAPHTHYL PHOSPHATE)
Formula: C10H9O4P
Molecular Weight: 224.153
Synonyms: Phosphoric acid mono-naphthalen-2-yl ester;
EINECS: 236-011-4
Density: 1.492 g/cm3
Melting Point: 172-173 °C
Boiling Point: 451 °C at 760 mmHg
Flash Point: 226.6 °C
PSA: 76.57000
LogP: 2.31130
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Specification

The 2-Naphthalenol,2-(dihydrogen phosphate), with the CAS registry number of 13095-41-5, is also known as Phosphoric acid mono-naphthalen-2-yl ester. Its EINECS registry number is 236-011-4. Its molecular formula is C10H9O4P and molecular weight is 224.15. What's more, its IUPAC name is Naphthalen-2-yl dihydrogen phosphate. It is substrate for bovine kidney acid phosphatase.

Physical properties about the 2-Naphthalenol,2-(dihydrogen phosphate) are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.09; (4)ACD/LogD (pH 7.4): -2.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 56.08 cm3; (15)Molar Volume: 150.2 cm3; (16)Surface Tension: 69.4 dyne/cm; (17)Density: 1.492 g/cm3; (18)Flash Point: 226.6 °C; (19)Enthalpy of Vaporization: 74.82 kJ/mol; (20)Boiling Point: 451 °C at 760 mmHg; (21)Vapour Pressure: 6.38E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(O)Oc2ccc1c(cccc1)c2
(2) InChI: InChI=1/C10H9O4P/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,11,12,13)
(3) InChIKey: CQTZJAKSNDFPOB-UHFFFAOYAZ