HADA hydrochloride 5mg

CAT: 0628-A23969-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A23969-5Size:5 mg

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CAS Number

2253733-10-5

Chemical Information

HADA hydrochloride

CAS Number	2253733-10-5
PubChem CID	137919867
IUPAC Name	(2R)-2-amino-3-[(7-hydroxy-2-oxochromene-3-carbonyl)amino]propanoic acid;hydrochloride
Molecular Formula	C13H13ClN2O6
Molecular Weight	328.70
Topological Polar Surface Area	139
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	489

SMILES

C1=CC2=C(C=C1O)OC(=O)C(=C2)C(=O)NC[C@H](C(=O)O)N.Cl

InChI

InChI=1S/C13H12N2O6.ClH/c14-9(12(18)19)5-15-11(17)8-3-6-1-2-7(16)4-10(6)21-13(8)20;/h1-4,9,16H,5,14H2,(H,15,17)(H,18,19);1H/t9-;/m1./s1

InChIKey

PLVOEKQNBIXHDI-SBSPUUFOSA-N

Chemical Structure

2D Structure

CAS: 2253733-10-5

CID: 137919867

Formula: C13H13ClN2O6

MW: 328.70

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.70
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	328.0462138
Monoisotopic Mass	328.0462138
Topological Polar Surface Area	139 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	489
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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