Vitamin K1 Impurity 95

CAT: 1299-RM-V307798-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-V307798-01Size:10 mg

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CAS Number

15448-59-6

Synonyms

1a-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione

Molecular Formula

C11H8O3

Molecular Weight

188.18

Target Alternative Name

Vitamin

Product Name Synonym

1a-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione

Chemical Information

2,3-Epoxy-2-methyl-1,4-naphthoquinone

CAS Number	15448-59-6
PubChem CID	85845
IUPAC Name	1a-methyl-7aH-naphtho[2,3-b]oxirene-2,7-dione
Molecular Formula	C11H8O3
Molecular Weight	188.18
XLogP	1.2
Topological Polar Surface Area	46.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	322

SMILES

CC12C(O1)C(=O)C3=CC=CC=C3C2=O

InChI

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

InChIKey

NNUKDUBCRRYXDC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15448-59-6

CID: 85845

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	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	188.047344113
Monoisotopic Mass	188.047344113
Topological Polar Surface Area	46.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	322
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-V307777-01	Vitamin K1 Impurity 77; Vitamin K1 Impurity G
RM-V307819-01	Vitamin K1 Impurity 119
RM-V307854-01	Vitamin K1 Impurity 149
RM-V317892-01	Vitamin K1 Impurity 202
RM-V317891-01	Vitamin K1 Impurity 201
RM-V317889-01	Vitamin K1 Impurity 199
RM-V317887-01	Vitamin K1 Impurity 197
RM-V317883-01	Vitamin K1 Impurity 193
RM-V317902-01	Vitamin K1 Impurity 210
RM-V307842-01	Vitamin K1 Impurity 142

Catalog	Name
AR-V01550-01	Vitamin A Impurity C (retro-Vitamin A)
HY-76871-01	Vitamin impurity 4
HY-Z1075	Vitamin impurity 2
468726	Vitamin D2 Impurity
GTR19280568-01	Vitamin impurity 3
AR-V01542-01	Vitamin B6 Impurity
AR-V06822-01	Vitamin K1 Impurity 14 (Vitamin K4)
AR-V07170-01	Vitamin D3 Impurity 15
AR-V06848-01	Vitamin K2 Impurity 10
AR-V06847-01	Vitamin K2 Impurity 8