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773119-95-2 | 1H-Indole-3-propanoicacid, b-amino-6-methyl-
CAS No: 773119-95-2 Catalog No: AG0054Q0 MDL No:
Product Description
Catalog Number:
AG0054Q0
Chemical Name:
1H-Indole-3-propanoicacid, b-amino-6-methyl-
CAS Number:
773119-95-2
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
3-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C12H14N2O2/c1-7-2-3-8-9(6-14-11(8)4-7)10(13)5-12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)
InChI Key:
NHENSSFHANXIPV-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1c[nH]c2c1ccc(c2)C)N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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