Home Other Building Blocks (2E)-2-cyano-3-(furan-2-yl)prop-2-enoic acid

(2E)-2-cyano-3-(furan-2-yl)prop-2-enoic acid

CAS No.:
73403-29-9
Catalog Number:
AG019IG2
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
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Product Description
Catalog Number:
AG019IG2
Chemical Name:
(2E)-2-cyano-3-(furan-2-yl)prop-2-enoic acid
CAS Number:
73403-29-9
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD02677580
IUPAC Name:
(E)-2-cyano-3-(furan-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C8H5NO3/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H,10,11)/b6-4+
InChI Key:
ZQEYJNCEFQYAPJ-GQCTYLIASA-N
SMILES:
N#C/C(=C\c1ccco1)/C(=O)O
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties