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139184-60-4 | L-Alanine, N-(4-ethenylbenzoyl)-
CAS No: 139184-60-4 Catalog No: AG001AGK MDL No:
Product Description
Catalog Number:
AG001AGK
Chemical Name:
L-Alanine, N-(4-ethenylbenzoyl)-
CAS Number:
139184-60-4
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
2-[(4-ethenylbenzoyl)amino]propanoic acid
InChI:
InChI=1S/C12H13NO3/c1-3-9-4-6-10(7-5-9)11(14)13-8(2)12(15)16/h3-8H,1H2,2H3,(H,13,14)(H,15,16)
InChI Key:
LYZCFPBJGZGJDM-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)C(=O)N[C@H](C(=O)O)C
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:
0
XLogP3:
2
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