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887584-12-5 | 1H-Indole-3-propanoicacid, b-amino-4-methyl-
CAS No: 887584-12-5 Catalog No: AG004DV4 MDL No:
Product Description
Catalog Number:
AG004DV4
Chemical Name:
1H-Indole-3-propanoicacid, b-amino-4-methyl-
CAS Number:
887584-12-5
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
3-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C12H14N2O2/c1-7-3-2-4-10-12(7)8(6-14-10)9(13)5-11(15)16/h2-4,6,9,14H,5,13H2,1H3,(H,15,16)
InChI Key:
JYVBTFFBVCOEPO-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1c[nH]c2c1c(C)ccc2)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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