1-Naphthyl Propionate

CAT: 0127-OR1026764-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1026764-01Size:1 g

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CAS Number

3121-71-9

Synonyms

Naphthalen-1-yl propanoate

Purity

98%

Smiles

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

Chemical Information

Alpha-naphthyl propionate

CAS Number	3121-71-9
PubChem CID	76572
IUPAC Name	naphthalen-1-yl propanoate
Molecular Formula	C13H12O2
Molecular Weight	200.23
XLogP	3.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	225

SMILES

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

InChI

InChI=1S/C13H12O2/c1-2-13(14)15-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3

InChIKey

FRXPDEZCWCPLIH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3121-71-9

CID: 76572

Formula: C13H12O2

MW: 200.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.23
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	200.083729621
Monoisotopic Mass	200.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	225
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
BUP19737-01	1-Naphthyl acetate
OR1029492-01	1-Naphthyl Butyrate
OR51003-01	9- (1-Naphthyl) -10- (2-naphthyl) anthracene
BUP05953-01	1-Naphthyl PP1
OR1009548-01	1-Naphthyl Acetate
OR322081-01	1-Naphthyl isothiocyanate
OR1009580-01	1-Phenylethyl propionate
OR74761-01	1- (1-Naphthyl) ethylamine
OR0667	2- (1-Naphthyl) acetamidoxime
OR25797	(diphenylphosphoryl) (1-naphthyl) methanol

Catalog	Name
sc-473588	1-Naphthyl Propionate
TRC-G349700-1G	Glycerol 1-[2-(6-Methoxy-2-naphthyl)propionate]
QEA02599-01	2-Diethylaminoethyl-3- (1-naphthyl) -2- (1-naphthylmethyl) propionate oxalate
HY-W016598-01	1-Phenylethyl propionate
sc-505038	1-Chloroisobutyl propionate
RM-C120228-01	Clobetasol Propionate Impurity 1
HY-B1773AS1	Sodium propionate-13C-1
RM-H120503-01	Halobetasol Propionate Impurity 1
sc-236920	Sodium propionate-1-13C
TRC-C367350-1G	1-Chloroisobutyl propionate (Technical Grade)