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860785-22-4 | (2E)-3-[(1,3-benzoxazol-6-yl)carbamoyl]prop-2-enoic acid
CAS No: 860785-22-4 Catalog No: AG00IWO1 MDL No:MFCD03617892
Product Description
Catalog Number:
AG00IWO1
Chemical Name:
(2E)-3-[(1,3-benzoxazol-6-yl)carbamoyl]prop-2-enoic acid
CAS Number:
860785-22-4
Molecular Formula:
C11H8N2O4
Molecular Weight:
232.1922
MDL Number:
MFCD03617892
IUPAC Name:
4-(1,3-benzoxazol-6-ylamino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C11H8N2O4/c14-10(3-4-11(15)16)13-7-1-2-8-9(5-7)17-6-12-8/h1-6H,(H,13,14)(H,15,16)
InChI Key:
GJGKHXQRSGZBLY-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)ocn2)/C=C/C(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.195g/mol
Monoisotopic Mass:
232.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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