5-Nitro-DL-tryptophan

CAT: 0024-sc-281465Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-281465Size:250 mg

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CAS Number

6525-46-8

Chemical Information

Nsc58612

CAS Number	6525-46-8
PubChem CID	3413602
IUPAC Name	2-amino-3-(5-nitro-1H-indol-3-yl)propanoic acid
Molecular Formula	C11H11N3O4
Molecular Weight	249.22
XLogP	-1
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	344

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CC(C(=O)O)N

InChI

InChI=1S/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)

InChIKey

XKDUODGOACYEEU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6525-46-8

CID: 3413602

Formula: C11H11N3O4

MW: 249.22

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	249.22
XLogP3	-1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	249.07495584
Monoisotopic Mass	249.07495584
Topological Polar Surface Area	125 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes