Home Other Building Blocks 2-(3-phenylprop-2-enamido)propanoic acid

2-(3-phenylprop-2-enamido)propanoic acid

CAS No.:
80922-85-6
Catalog Number:
AG019JZ6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG019JZ6
Chemical Name:
2-(3-phenylprop-2-enamido)propanoic acid
CAS Number:
80922-85-6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD00706957
IUPAC Name:
2-(3-phenylprop-2-enoylamino)propanoic acid
InChI:
InChI=1S/C12H13NO3/c1-9(12(15)16)13-11(14)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)(H,15,16)
InChI Key:
JDZJPBGMOPJBQP-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)NC(=O)C=Cc1ccccc1
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.6  
Properties