DL-dopaquinone

CAT: 1596-AR-D02257-04Size: 100 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-D02257-04Size:100 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

4430-97-1

Synonyms

2-amino-3- (3,4-dioxocyclohexa-1,5-dien-1-yl) propanoic acid; Dopa O-Quinone; o-Dopaquinone; DOPA quinone

Molecular Formula

C9H9NO4

Molecular Weight

195.17

API Name

Dopa

Chemical Information

alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid

Implicated in food discolouration (enzymatic browning).

CAS Number	4430-97-1
PubChem CID	682
IUPAC Name	2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	-3.4
Topological Polar Surface Area	97.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	354

SMILES

C1=CC(=O)C(=O)C=C1CC(C(=O)O)N

InChI

InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)

InChIKey

AHMIDUVKSGCHAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4430-97-1

CID: 682

Formula: C9H9NO4

MW: 195.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
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 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	354
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

Catalog	Name
AR-D05982-01	Dopaquinone
AR-D07545-01	D-Dopaquinone
AR-L08046-01	N6-DL-Lysyl-DL-Lysine
AR-L08047-01	N2-DL-Lysyl-DL-Lysine
AR-C04126-01	DL-Camphene
AR-H07591-01	DL-Histidine
AR-L06431-01	DL-Lactide
AR-D07300-01	DL-Dithiothreitol
AR-C03932-01	DL-Homocystine
AR-C07481-01	DL-Dierucoylphosphatidylcholine

Catalog	Name
FD182618-01	DL-Dopaquinone
RG-D151601-01	Dopaquinone
TRC-D533860-25MG	Dopaquinone Lactone
RG-D151602-01	Dopaquinone Impurity 2
RG-D151603-01	Dopaquinone Impurity 3
RG-D151604-01	Dopaquinone Impurity 4
TRC-M260560-100MG	DL-Methionyl-DL-methionine
OR1039900-01	DL-Alanyl-DL-phenylalanine
sc-391146	DL-Leu-DL-Phe
sc-487277	DL-Leucylglycyl-DL-phenylalanine