(αS)-α-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid
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(αS)-α-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid
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CAS No:
25520-73-4
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Formula:
C9H9NO4
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Chemical Name:
(αS)-α-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid
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Synonyms:
1,5-Cyclohexadiene-1-propanoic acid,α-amino-3,4-dioxo-,(αS)-;1,5-Cyclohexadiene-1-propionic acid,α-amino-3,4-dioxo-,L-;1,5-Cyclohexadiene-1-propanoic acid,α-amino-3,4-dioxo-,(S)-;(αS)-α-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid;Dopaquinone;L-DOPA semiquinone
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CAS No:
Description
Solid
L-dopaquinone is an L-phenylalanine derivative in which the phenyl group of L-phenylalanine is replaced by a 3,4-dioxocyclohexa-1,5-dien-1-yl group. It has a role as a human metabolite and a mouse metabolite. It is a L-phenylalanine derivative and a member of 1,2-benzoquinones. It is a tautomer of a L-dopaquinone zwitterion.
(αS)-α-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid Basic Attributes
195.17 g/mol
195.17
8F09Y50AX6
Computed Properties
Molecular Weight:195.17
XLogP3:-3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:195.05315777
Monoisotopic Mass:195.05315777
Topological Polar Surface Area:97.5
Heavy Atom Count:14
Complexity:354
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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