Methyl Benzoxazole-7-carboxylate - CAS 1086378-35-9

Catalog:	BB002296
Product Name:	Methyl Benzoxazole-7-carboxylate
CAS:	1086378-35-9
Synonyms:	1,3-benzoxazole-7-carboxylic acid methyl ester; methyl 1,3-benzoxazole-7-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 1,3-benzoxazole-7-carboxylate
Description:	Methyl Benzoxazole-7-carboxylate (CAS# 1086378-35-9) is a useful research chemical.
Molecular Weight:	177.16
Molecular Formula:	C9H7NO3
Canonical SMILES:	COC(=O)C1=C2C(=CC=C1)N=CO2
InChI:	InChI=1S/C9H7NO3/c1-12-9(11)6-3-2-4-7-8(6)13-5-10-7/h2-5H,1H3
InChI Key:	SVWYSYMOKICPBK-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD11042246
LogP:	1.61440

Publication Number	Title	Priority Date
WO-2020043880-A1	Heterocyclic compounds as ahr modulators	20180831
EP-3843853-A1	Heterocyclic compounds as ahr modulators	20180831
KR-20210053911-A	Heterocyclic compounds as AHR modulators	20180831
KR-102168543-B1	Isoxazole derivatives as nuclear receptor agonist and uses thereof	20170412
KR-20200123051-A	Isoxazole derivatives as nuclear receptor agonist and uses thereof	20170412

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Related Functional Groups

Carbonyl Compounds

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[51493-02-8]
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[87-88-7]
Chloranilic acid
[1427004-19-0]
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[1006443-01-1]
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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