Name: Name:4-[3-(Methoxycarbonyl)-5-isoxazolyl]benzoic acid
Brand: Angene
SKU: AG0013F6
Rating: 90 (10 reviews)

4-[3-(Methoxycarbonyl)-5-isoxazolyl]benzoic acid

CAS No.:

1375064-52-0

Catalog Number:

AG0013F6

Molecular Formula:

C12H9NO5

Molecular Weight:

247.2036

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Catalog Number:

AG0013F6

Chemical Name:

4-[3-(Methoxycarbonyl)-5-isoxazolyl]benzoic acid

CAS Number:

1375064-52-0

Molecular Formula:

C12H9NO5

Molecular Weight:

247.2036

MDL Number:

MFCD22192331

IUPAC Name:

4-(3-methoxycarbonyl-1,2-oxazol-5-yl)benzoic acid

InChI:

InChI=1S/C12H9NO5/c1-17-12(16)9-6-10(18-13-9)7-2-4-8(5-3-7)11(14)15/h2-6H,1H3,(H,14,15)

InChI Key:

YGJBDODYBMPATP-UHFFFAOYSA-N

SMILES:

COC(=O)c1noc(c1)c1ccc(cc1)C(=O)O

Complexity:

324

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.206g/mol

Monoisotopic Mass:

247.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7