FAM hydrazide, 5-isomer

CAT: 0127-BIPG2310-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG2310-01Size:5 mg

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CAS Number

2183440-64-2

Purity

95%

Smiles

C1=CC2=C (C=C1C (=O) N[NH3+]) C (=O) OC23C4=C (C=C (C=C4) O) OC5=C3C=CC (=C5) O

Chemical Information

FAM hydrazide, 5-isomer

CAS Number	2183440-64-2
PubChem CID	154723921
IUPAC Name	[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]azanium
Molecular Formula	C21H15N2O6+
Molecular Weight	391.4
XLogP	2
Topological Polar Surface Area	133
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	29
Formal Charge	1
Complexity	660

SMILES

C1=CC2=C(C=C1C(=O)N[NH3+])C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

InChI

InChI=1S/C21H14N2O6/c22-23-19(26)10-1-4-14-13(7-10)20(27)29-21(14)15-5-2-11(24)8-17(15)28-18-9-12(25)3-6-16(18)21/h1-9,24-25H,22H2,(H,23,26)/p+1

InChIKey

ZJLTXRWYPNRWBS-UHFFFAOYSA-O

Chemical Structure

2D Structure

CAS: 2183440-64-2

CID: 154723921

Formula: C21H15N2O6+

MW: 391.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	391.4
XLogP3	2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	391.09301120
Monoisotopic Mass	391.09301120
Topological Polar Surface Area	133 Å²
Heavy Atom Count	29
Formal Charge	1
Complexity	660
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes