Xanthone Impurity 2

CAT: 1299-RM-X011402-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-X011402-02Size:25 mg

Selected

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

Quick Request Actions

CAS Number

120374-28-9

Synonyms

3,8-dihydroxy-6-methoxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

Molecular Formula

C17H12O7

Molecular Weight

328.28

Target Alternative Name

Xanthone

Product Name Synonym

3,8-dihydroxy-6-methoxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

Chemical Information

Xanthone Impurity 2

3,8-Dihydroxy-6-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid has been reported in Gladiolus italicus with data available.

CAS Number	120374-28-9
PubChem CID	14213578
IUPAC Name	3,8-dihydroxy-6-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid
Molecular Formula	C17H12O7
Molecular Weight	328.27
XLogP	3.1
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	559

SMILES

CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O

InChI

InChI=1S/C17H12O7/c1-6-12-9(5-11(19)13(6)17(22)23)15(20)8-3-7(24-2)4-10(18)14(8)16(12)21/h3-5,18-19H,1-2H3,(H,22,23)

InChIKey

NXISGLZWGQEYED-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120374-28-9

CID: 14213578

Formula: C17H12O7

MW: 328.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.27
XLogP3	3.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	328.05830272
Monoisotopic Mass	328.05830272
Topological Polar Surface Area	121 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	559
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