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Home > Indoles and Oxindole > 94732-38-4
94732-38-4 | L-Alanine, N-(1H-indol-3-yloxoacetyl)-
CAS No: 94732-38-4 Catalog No: AG005VPV MDL No:
Product Description
Catalog Number:
AG005VPV
Chemical Name:
L-Alanine, N-(1H-indol-3-yloxoacetyl)-
CAS Number:
94732-38-4
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
IUPAC Name:
2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]propanoic acid
InChI:
InChI=1S/C13H12N2O4/c1-7(13(18)19)15-12(17)11(16)9-6-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,15,17)(H,18,19)
InChI Key:
BLCWHIJOIFCPLC-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H](NC(=O)C(=O)c1c[nH]c2c1cccc2)C
NSC Number:
608047
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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