Levodopa Impurity 10

CAT: 1299-RM-L041610-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L041610-02Size:25 mg

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

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CAS Number

28095-48-9

Synonyms

2-amino-3- (2,3-dihydroxyphenyl) propanoic acid

Molecular Formula

C9H11NO4

Molecular Weight

197.19

Target Alternative Name

Levodopa

Product Name Synonym

2-amino-3- (2,3-dihydroxyphenyl) propanoic acid

Chemical Information

2-amino-3-(2,3-dihydroxyphenyl)propanoic Acid

CAS Number	28095-48-9
PubChem CID	11333069
IUPAC Name	2-amino-3-(2,3-dihydroxyphenyl)propanoic acid
Molecular Formula	C9H11NO4
Molecular Weight	197.19
XLogP	-2.1
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	209

SMILES

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

InChI

InChI=1S/C9H11NO4/c10-6(9(13)14)4-5-2-1-3-7(11)8(5)12/h1-3,6,11-12H,4,10H2,(H,13,14)

InChIKey

NATUQRGCLABGAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28095-48-9

CID: 11333069

Formula: C9H11NO4

MW: 197.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.19
XLogP3	-2.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	197.06880783
Monoisotopic Mass	197.06880783
Topological Polar Surface Area	104 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	209
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