Phthiocol

CAT: 0127-OR87106-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR87106-01Size:100 mg

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

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CAS Number

483-55-6

MDL Number

MFCD00019560

Purity

98%

Smiles

O=C1C(O)=C(C)C(C2=C1C=CC=C2)=O

Chemical Information

Phthiocol

Phthiocol is a naphthoquinone.

CAS Number	483-55-6
PubChem CID	10221
IUPAC Name	4-hydroxy-3-methylnaphthalene-1,2-dione
Molecular Formula	C11H8O3
Molecular Weight	188.18
XLogP	1.2
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	327

SMILES

CC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C11H8O3/c1-6-9(12)7-4-2-3-5-8(7)11(14)10(6)13/h2-5,12H,1H3

InChIKey

BGVCGTNXEKDVCB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 483-55-6

CID: 10221

Formula: C11H8O3

MW: 188.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.18
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	188.047344113
Monoisotopic Mass	188.047344113
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	327
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
AR-V01608-01	Vitamin K1 Related Compound 3 (Phthiocol)