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

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

CAS No.:
1446140-97-1
Catalog Number:
AG01BJA2
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
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Product Description
Catalog Number:
AG01BJA2
Chemical Name:
2-cyano-3-(furan-3-yl)prop-2-enoic acid
CAS Number:
1446140-97-1
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD31456976
IUPAC Name:
2-cyano-3-(furan-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C8H5NO3/c9-4-7(8(10)11)3-6-1-2-12-5-6/h1-3,5H,(H,10,11)
InChI Key:
QSMBMDUBGAVDIF-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cocc1)C(=O)O
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1  
XLogP3:
0.9  
Properties