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23000-14-8

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Basic Information
CAS No.: 23000-14-8
Name: 2,5-Dimethyl-1,3-oxazole-4-carboxylic acid
Article Data: 8
Molecular Structure:
Molecular Structure of 23000-14-8 (2,5-Dimethyl-1,3-oxazole-4-carboxylic acid)
Formula: C6H7NO3
Molecular Weight: 141.126
Synonyms: 2,5-dimethyloxazole-4-carboxylic acid;
Density: 1.276g/cm3
Melting Point: 232 oC
Boiling Point: 267.4oCat760mmHg
Flash Point: 115.5oC
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 63.33000
LogP: 0.98960
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Specification

The 2,5-Dimethyl-1,3-oxazole-4-carboxylic acid with the cas number 23000-14-8 is also called 2,5-Dimethyloxazole-4-carboxylic acid. The molecular formula of this chemical is C6H7NO3. This chemical is harmful,you should be cautious about it. It should be stored in dry and cool environment.

Properties Computed from Structure: (1)XLogP3-AA: 1; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 1; (5)Exact Mass: 141.042593; (6)MonoIsotopic Mass: 141.042593; (7)Topological Polar Surface Area: 63.3; (8)Heavy Atom Count: 10; (9)Formal Charge: 0; (10)Complexity: 148; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(N=C(O1)C)C(=O)O
(2)InChI: InChI=1S/C6H7NO3/c1-3-5(6(8)9)7-4(2)10-3/h1-2H3,(H,8,9)
(3)InChIKey: LHGRUGVXZLHYKE-UHFFFAOYSA-N