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2-amino-3-(5-nitro-1H-indol-3-yl)propanoic acid

2-amino-3-(5-nitro-1H-indol-3-yl)propanoic acid

CAS: 6525-46-8

Formula: C11H11N3O4

SMILES: NC(CC1=CNC2=CC=C(C=C12)[N+]([O-])=O)C(O)=O

IUPAC: 2-amino-3-(5-nitro-1H-indol-3-yl)propanoic acid

InChI: InChI=1/C11H11N3O4/c12-9(11(15)16)3-6-5-13-10-2-1-7(14(17)18)4-8(6)10/h1-2,4-5,9,13H,3,12H2,(H,15,16)

Composition: C (53.01%), H (4.45%), N (16.86%), O (25.68%)

Molar Mass: 249.226

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 249.074955846
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey XKDUODGOACYEEU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.52
Topological Polar Surface Area 122.25
Polarizability 24.98
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 6525-46-8 $193.92-$871.68$193.92$290.88$871.68
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