Home Other Building Blocks 3-(pyrimidin-4-yl)prop-2-enoic acid

3-(pyrimidin-4-yl)prop-2-enoic acid

CAS No.:
857200-95-4
Catalog Number:
AG01A4M0
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
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Product Description
Catalog Number:
AG01A4M0
Chemical Name:
3-(pyrimidin-4-yl)prop-2-enoic acid
CAS Number:
857200-95-4
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
MDL Number:
MFCD19626118
IUPAC Name:
3-pyrimidin-4-ylprop-2-enoic acid
InChI:
InChI=1S/C7H6N2O2/c10-7(11)2-1-6-3-4-8-5-9-6/h1-5H,(H,10,11)
InChI Key:
PPMHSAQFDNOZAL-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccncn1
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.2  
Properties