(1,3-Benzoxazol-2-yl)acetic acid supplier

Name
BENZOOXAZOL-2-YL-ACETIC ACID
EINECS
CAS No. 78756-98-6
Article Data4
CAS DataBase
Density 1.394 g/cm³
Solubility
Melting Point 116 °C (decomp)
Formula C₉H₇NO₃
Boiling Point 349 °C at 760 mmHg
Molecular Weight 177.159
Flash Point 164.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (BENZOXAZOL-2-YL)ACETIC ACID;BENZOOXAZOL-2-YL-ACETIC ACID;BUTTPARK 147\06-04;CHEMBRDG-BB 4400849;2-(benzo[d]oxazol-2-yl)acetic acid;(1,3-Benzoxazol-2-yl)acetic acid;2-Benzoxazoleacetic acid;1,3-benzoxazol-2-ylacetic acid(SALTDATA: Na salt)
PSA 63.33000
LogP 1.45490

(1,3-Benzoxazol-2-yl)acetic acid Specification

This chemical is called 2-Benzoxazoleaceticacid, and its IUPAC name is 2-(1,3-benzoxazol-2-yl)acetic acid. With the molecular formula of C₉H₇NO₃, its molecular weight is 177.16. The CAS registry number of this chemical is 78756-98-6.

Other characteristics of the 2-Benzoxazoleaceticacid can be summarised as followings: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.33 Å²; (11)Index of Refraction: 1.637; (12)Molar Refractivity: 45.6 cm³; (13)Molar Volume: 127 cm³; (14)Polarizability: 18.07×10^-24cm³; (15)Surface Tension: 62.8 dyne/cm; (16)Density: 1.394 g/cm³; (17)Flash Point: 164.9 °C; (18)Enthalpy of Vaporization: 62.62 kJ/mol; (19)Boiling Point: 349 °C at 760 mmHg; (20)Vapour Pressure: 1.82E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)Cc1nc2ccccc2o1
2.InChI: InChI=1/C9H7NO3/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H,11,12)
3.InChIKey: YMRAQUVISUIUNK-UHFFFAOYAU

Product Name

BENZOOXAZOL-2-YL-ACETIC ACID

(1,3-Benzoxazol-2-yl)acetic acid Specification

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