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139286-87-6 | L-Alanine, N-[(7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-
CAS No: 139286-87-6 Catalog No: AG001AOH MDL No:
Product Description
Catalog Number:
AG001AOH
Chemical Name:
L-Alanine, N-[(7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-
CAS Number:
139286-87-6
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
IUPAC Name:
2-[(7-hydroxy-2-oxochromen-8-yl)methylamino]propanoic acid
InChI:
InChI=1S/C13H13NO5/c1-7(13(17)18)14-6-9-10(15)4-2-8-3-5-11(16)19-12(8)9/h2-5,7,14-15H,6H2,1H3,(H,17,18)
InChI Key:
MUJGCPFWXPVGGO-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H](NCc1c(O)ccc2c1oc(=O)cc2)C
NSC Number:
673342
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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