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897958-55-3 | 1H-Indole-7-carboxylic acid, 3-(2,2-diaminoethyl)-
CAS No: 897958-55-3 Catalog No: AG003ZDK MDL No:
Product Description
Catalog Number:
AG003ZDK
Chemical Name:
1H-Indole-7-carboxylic acid, 3-(2,2-diaminoethyl)-
CAS Number:
897958-55-3
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
3-(2,2-diaminoethyl)-1H-indole-7-carboxylic acid
InChI:
InChI=1S/C11H13N3O2/c12-9(13)4-6-5-14-10-7(6)2-1-3-8(10)11(15)16/h1-3,5,9,14H,4,12-13H2,(H,15,16)
InChI Key:
RYFAPKOHZNIPIK-UHFFFAOYSA-N
SMILES:
NC(Cc1c[nH]c2c1cccc2C(=O)O)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:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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