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

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

CAS No.:
302345-89-7
Catalog Number:
AG019JZQ
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG019JZQ
Chemical Name:
3-(3-phenylprop-2-enamido)propanoic acid
CAS Number:
302345-89-7
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD02323154
IUPAC Name:
3-(3-phenylprop-2-enoylamino)propanoic acid
InChI:
InChI=1S/C12H13NO3/c14-11(13-9-8-12(15)16)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)(H,15,16)
InChI Key:
RHVXIMHTRDBXMQ-UHFFFAOYSA-N
SMILES:
O=C(C=Cc1ccccc1)NCCC(=O)O
Properties
Complexity:
267  
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:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.1  
Properties