Carviolin

CAT: 0926-AAA47835-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA47835-01Size:5 mg

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CAS Number

478-35-3

MDL Number

MFCD27968017

Smiles

COC1=CC (=CC2=C1C (=O) C3=C (C2=O) C=C (C=C3O) O) CO

Molecular Formula

C16H12O6

Molecular Weight

300.26 g/mol

Controlled

Chemical Information

Carviolin

Carviolin has been reported in Penicillium carminoviolaceum, Triangularia longicaudata, and other organisms with data available.

CAS Number	478-35-3
PubChem CID	10040432
IUPAC Name	1,3-dihydroxy-6-(hydroxymethyl)-8-methoxyanthracene-9,10-dione
Molecular Formula	C16H12O6
Molecular Weight	300.26
XLogP	1.8
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	464

SMILES

COC1=CC(=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)O)CO

InChI

InChI=1S/C16H12O6/c1-22-12-3-7(6-17)2-9-14(12)16(21)13-10(15(9)20)4-8(18)5-11(13)19/h2-5,17-19H,6H2,1H3

InChIKey

XNMZBRJAWRIJII-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 478-35-3

CID: 10040432

Formula: C16H12O6

MW: 300.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.26
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	300.06338810
Monoisotopic Mass	300.06338810
Topological Polar Surface Area	104 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	464
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
10R-7957	Cardiotin antibody
10R-7955	Cardiotin antibody
10R-7954	Cardiotin antibody
10R-7956	Cardiotin antibody
FM119276-01	6-Methoxy-2,3,4,9-tetrahydro-1H-β-carbolin-1-one

Catalog	Name
HY-N10267	Carviolin