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31527-73-8 | 2-Propenoic acid, 3-(2-benzoxazolyl)-
CAS No: 31527-73-8 Catalog No: AG007J05 MDL No:
Product Description
Catalog Number:
AG007J05
Chemical Name:
2-Propenoic acid, 3-(2-benzoxazolyl)-
CAS Number:
31527-73-8
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
IUPAC Name:
3-(1,3-benzoxazol-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C10H7NO3/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-6H,(H,12,13)
InChI Key:
XNJWCEYKQQMNIC-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1nc2c(o1)cccc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| The E and Z isomers of 3-(benzoxazol-2-yl)prop-2-enoic acid. | Acta crystallographica. Section C, Crystal structure communications 20041001 |
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