Methyl 5-Benzoxazolecarboxylate - CAS 924869-17-0
Catalog: |
BB040536 |
Product Name: |
Methyl 5-Benzoxazolecarboxylate |
CAS: |
924869-17-0 |
Synonyms: |
1,3-benzoxazole-5-carboxylic acid methyl ester; methyl 1,3-benzoxazole-5-carboxylate |
IUPAC Name: | methyl 1,3-benzoxazole-5-carboxylate |
Description: | Methyl 5-Benzoxazolecarboxylate (CAS# 924869-17-0) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)OC=N2 |
InChI: | InChI=1S/C9H7NO3/c1-12-9(11)6-2-3-8-7(4-6)10-5-13-8/h2-5H,1H3 |
InChI Key: | VHLBJWCXFIGALN-UHFFFAOYSA-N |
MDL: | MFCD08689687 |
LogP: | 1.61440 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110016054-A | The ion monomer of phosphorus-nitrogen containing benzheterocycle structure, with its fire-retardant copolymerization ester type ionomer and their preparation method and application | 20190315 |
CN-109890793-A | New anthelmintic quinoline -3- carboxamides derivatives | 20161111 |
US-10889573-B2 | Anthelmintic quinoline-3-carboxamide derivatives | 20161111 |
KR-101792743-B1 | Novel nocarbenzoxazole derivatives, a preparation method thereof and use thereof | 20160708 |
CN-108738320-A | 4- amino -2- (1H- pyrazolos [3 as the cGMP conditioning agents for treating angiocardiopathy, 4-b] pyridin-3-yl) -6- oxos -6,7- dihydro -5H- pyrrolo-es [2,3-d] pyrimidine derivatives and respective (1H- indazole -3- bases) derivative | 20151222 |
PMID | Publication Date | Title | Journal |
19051586 | 20080701 | Synthesis, anticonvulsant and neurotoxicity evaluation of 5-carbomethoxybenzoxazole derivatives | Acta poloniae pharmaceutica |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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