1-NaphthylAcetate 99.5% AR

CAT: 1278-01787 00025Size: 25 gDry Ice: NoHazardous: No

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CAT#:1278-01787 00025Size:25 g

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CAS Number

830-81-9

HS Code

29189900

Packaging Group

Chemical Information

1-Naphthyl acetate

RN given refers to (alpha)-isomer

CAS Number	830-81-9
PubChem CID	13247
IUPAC Name	naphthalen-1-yl acetate
Molecular Formula	C12H10O2
Molecular Weight	186.21
XLogP	2.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	212

SMILES

CC(=O)OC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C12H10O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3

InChIKey

VGKONPUVOVVNSU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 830-81-9

CID: 13247

Formula: C12H10O2

MW: 186.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.21
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	186.068079557
Monoisotopic Mass	186.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	212
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