Arborinine

CAT: 0926-XA163699-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-XA163699-02Size:2 mg

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CAS Number

5489-57-6

MDL Number

MFCD00060475

Smiles

CN1C2=CC=CC=C2C (=O) C3=C (C (=C (C=C31) OC) OC) O

Molecular Formula

C16H15NO4

Molecular Weight

285.29 g/mol

Controlled

Chemical Information

Arborinine

Arborinine is a member of acridines. It is functionally related to an acridone.

CAS Number	5489-57-6
PubChem CID	5281832
IUPAC Name	1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
Molecular Formula	C16H15NO4
Molecular Weight	285.29
XLogP	3.3
Topological Polar Surface Area	59
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	402

SMILES

CN1C2=CC=CC=C2C(=O)C3=C(C(=C(C=C31)OC)OC)O

InChI

InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3

InChIKey

ATBZZQPALSPNMF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5489-57-6

CID: 5281832

Formula: C16H15NO4

MW: 285.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.29
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	285.10010796
Monoisotopic Mass	285.10010796
Topological Polar Surface Area	59 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	402
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

Catalog	Name
GAA87315	Arborine

Catalog	Name
TN3438	Arborinine