Vitamin K1 Impurity 15

CAT: 1596-AR-V06823-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06823-01Size:10 Units

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

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CAS Number

2211-27-0

Synonyms

4-Hydroxy-2-methylnaphthalen-1-yl acetate

Molecular Formula

C13H12O3

Molecular Weight

216.24

API Name

Vitamin k1

Chemical Information

4-Hydroxy-2-methyl-1-naphthyl acetate

CAS Number	2211-27-0
PubChem CID	313134
IUPAC Name	(4-hydroxy-2-methylnaphthalen-1-yl) acetate
Molecular Formula	C13H12O3
Molecular Weight	216.23
XLogP	2.9
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	264

SMILES

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

InChI

InChI=1S/C13H12O3/c1-8-7-12(15)10-5-3-4-6-11(10)13(8)16-9(2)14/h3-7,15H,1-2H3

InChIKey

JPUZRBGFEWQQEW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2211-27-0

CID: 313134

Formula: C13H12O3

MW: 216.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.23
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	216.078644241
Monoisotopic Mass	216.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	264
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

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