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Home > Indoles and Oxindole > 109708-25-0
109708-25-0 | INDOLE-3-ACETYL-L-ALANINE METHYL ESTER
CAS No: 109708-25-0 Catalog No: AG007AEF MDL No:
Product Description
Catalog Number:
AG007AEF
Chemical Name:
INDOLE-3-ACETYL-L-ALANINE METHYL ESTER
CAS Number:
109708-25-0
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
IUPAC Name:
1H-indole;methyl (2S)-2-amino-4-oxopentanoate
InChI:
InChI=1S/C8H7N.C6H11NO3/c1-2-4-8-7(3-1)5-6-9-8;1-4(8)3-5(7)6(9)10-2/h1-6,9H;5H,3,7H2,1-2H3/t;5-/m.0/s1
InChI Key:
UUJKTPVPTLJUEV-ZSCHJXSPSA-N
SMILES:
c1ccc2c(c1)[nH]cc2.COC(=O)[C@H](CC(=O)C)N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
262.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.309g/mol
Monoisotopic Mass:
262.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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