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89754-08-5 | 2-Propenoic acid, 2-cyano-3-(2-furanyloxy)-
CAS No: 89754-08-5 Catalog No: AG0040B5 MDL No:
Product Description
Catalog Number:
AG0040B5
Chemical Name:
2-Propenoic acid, 2-cyano-3-(2-furanyloxy)-
CAS Number:
89754-08-5
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
IUPAC Name:
2-cyano-3-(furan-2-yloxy)prop-2-enoic acid
InChI:
InChI=1S/C8H5NO4/c9-4-6(8(10)11)5-13-7-2-1-3-12-7/h1-3,5H,(H,10,11)
InChI Key:
UAZDFNFQIBEYHZ-UHFFFAOYSA-N
SMILES:
N#CC(=COc1ccco1)C(=O)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.131g/mol
Monoisotopic Mass:
179.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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