β ,3-Dihydroxytyrosine 100mg

CAT: 0628-A23867-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A23867-100Size:100 mg

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CAS Number

492-46-6

Chemical Information

dl-3,4-Dihydroxyphenylserine

CAS Number	492-46-6
PubChem CID	3171
IUPAC Name	2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
Molecular Formula	C9H11NO5
Molecular Weight	213.19
XLogP	-3.2
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	235

SMILES

C1=CC(=C(C=C1C(C(C(=O)O)N)O)O)O

InChI

InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)

InChIKey

QXWYKJLNLSIPIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 492-46-6

CID: 3171

Formula: C9H11NO5

MW: 213.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.19
XLogP3	-3.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	213.06372245
Monoisotopic Mass	213.06372245
Topological Polar Surface Area	124 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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