Name: Name:3(2H)-Benzoxazolebutanoicacid, 6-nitro-2-oxo-
Brand: Angene
SKU: AG0073MN
Rating: 90 (10 reviews)

3(2H)-Benzoxazolebutanoicacid, 6-nitro-2-oxo-

CAS No.:

42142-70-1

Catalog Number:

AG0073MN

Molecular Formula:

C11H10N2O6

Molecular Weight:

266.2069

Catalog Number:

AG0073MN

Chemical Name:

3(2H)-Benzoxazolebutanoicacid, 6-nitro-2-oxo-

CAS Number:

42142-70-1

Molecular Formula:

C11H10N2O6

Molecular Weight:

266.2069

MDL Number:

MFCD07329993

IUPAC Name:

4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid

InChI:

InChI=1S/C11H10N2O6/c14-10(15)2-1-5-12-8-4-3-7(13(17)18)6-9(8)19-11(12)16/h3-4,6H,1-2,5H2,(H,14,15)

InChI Key:

HSELHMHPLWKBID-UHFFFAOYSA-N

SMILES:

OC(=O)CCCn1c(=O)oc2c1ccc(c2)[N+](=O)[O-]

Complexity:

393

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

266.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

266.209g/mol

Monoisotopic Mass:

266.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2