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Home > Indoles and Oxindole > 194601-05-3
194601-05-3 | 1H-Indole-1-pentanoic acid, 5-nitro-
CAS No: 194601-05-3 Catalog No: AG007RIK MDL No:
Product Description
Catalog Number:
AG007RIK
Chemical Name:
1H-Indole-1-pentanoic acid, 5-nitro-
CAS Number:
194601-05-3
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
IUPAC Name:
5-(5-nitroindol-1-yl)pentanoic acid
InChI:
InChI=1S/C13H14N2O4/c16-13(17)3-1-2-7-14-8-6-10-9-11(15(18)19)4-5-12(10)14/h4-6,8-9H,1-3,7H2,(H,16,17)
InChI Key:
FJXQGXQWLCKILI-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCn1ccc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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