Ethyl 2- (1-naphthyl) acetate

CAT: 0127-OR904672-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR904672-01Size:5 g

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CAS Number

2122-70-5

MDL Number

MFCD00021579

Purity

95%

Smiles

CCOC(=O)Cc1cccc2ccccc12

Chemical Information

alpha-Naphthaleneacetic acid, ethyl ester

CAS Number	2122-70-5
PubChem CID	62428
IUPAC Name	ethyl 2-naphthalen-1-ylacetate
Molecular Formula	C14H14O2
Molecular Weight	214.26
XLogP	3.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	237

SMILES

CCOC(=O)CC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3

InChIKey

XIDPSKQLXKCVQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2122-70-5

CID: 62428

Formula: C14H14O2

MW: 214.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.26
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	214.099379685
Monoisotopic Mass	214.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	237
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
PC510307	Ethyl 2,2-Difluoro-2- (1-naphthyl) acetate
OR938172-01	2-Naphthyl acetate
BUP19737-01	1-Naphthyl acetate
OR1009548-01	1-Naphthyl Acetate
OR86054-01	Ethyl 1-naphthyl ketone
OR97935	4-Bromo-1-naphthyl acetate
OR314004	Ethyl 4- (1-Naphthyl) -2,4-dioxobutanoate
OR28241	Ethyl 2- (1-adamantyl) acetate
OR1098816-01	Ethyl 2- (1-hydroxycycloheptyl) acetate
OR88496-01	Ethyl 2- (1-aminocyclobutyl) acetate

Catalog	Name
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