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113611-44-2

113611-44-2 | L-Serine, N-(1-oxo-2-propen-1-yl)-

CAS No: 113611-44-2 Catalog No: AG00094U MDL No:

Product Description

Catalog Number:
AG00094U
Chemical Name:
L-Serine, N-(1-oxo-2-propen-1-yl)-
CAS Number:
113611-44-2
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
IUPAC Name:
3-hydroxy-2-(prop-2-enoylamino)propanoic acid
InChI:
InChI=1S/C6H9NO4/c1-2-5(9)7-4(3-8)6(10)11/h2,4,8H,1,3H2,(H,7,9)(H,10,11)
InChI Key:
WSCDWTSHFZEGGL-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)O)NC(=O)C=C

Properties

Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

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