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79754-76-0 | 1H-Indole-3-aceticacid, a-(aminomethyl)-, methyl ester
CAS No: 79754-76-0 Catalog No: AG005HEA MDL No:
Product Description
Catalog Number:
AG005HEA
Chemical Name:
1H-Indole-3-aceticacid, a-(aminomethyl)-, methyl ester
CAS Number:
79754-76-0
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
methyl 3-amino-2-(1H-indol-3-yl)propanoate
InChI:
InChI=1S/C12H14N2O2/c1-16-12(15)9(6-13)10-7-14-11-5-3-2-4-8(10)11/h2-5,7,9,14H,6,13H2,1H3
InChI Key:
SXWBIFYGTMDPFI-UHFFFAOYSA-N
SMILES:
NCC(c1c[nH]c2c1cccc2)C(=O)OC
Properties
Complexity:
257
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:
2
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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