Propionic acid 2-naphthyl ester

CAT: 0926-FP67467-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FP67467-01Size:1 g

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CAS Number

13080-43-8

Synonyms

β-Naphthylpropionate

MDL Number

MFCD00051170

Smiles

CCC (=O) OC1=CC2=CC=CC=C2C=C1

Molecular Formula

C13H12O2

Molecular Weight

200.23 g/mol

Controlled

Chemical Information

2-Naphthyl propionate

CAS Number	13080-43-8
PubChem CID	83118
IUPAC Name	naphthalen-2-yl propanoate
Molecular Formula	C13H12O2
Molecular Weight	200.23
XLogP	3.2
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=CC2=CC=CC=C2C=C1

InChI

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

InChIKey

KVMXEPJRCAPKJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13080-43-8

CID: 83118

Formula: C13H12O2

MW: 200.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.23
XLogP3	3.2
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
FF50346	Fmoc- (S) -3-amino-3- (2-naphthyl) propionic acid
NAA36541-01	2-Methyl-2- (2-naphthyl) propanoic acid
AHA22547-01	2- (3-Trifluoromethyl-phenyl) -propionic acid methyl ester
SIC67433-01	2-Oxetan-3-yl-propionic acid ethyl ester
IDA63646-01	2- (4-Bromo-Phenyl) -Propionic Acid Methyl Ester
GDA37176-01	3-Bromo-2,2-dimethoxy-propionic acid methyl ester
LVA27247-01	Fmoc- (R) -3-amino-3- (1-naphthyl) -propionic acid
AVA78900-01	Boc- (R) -3-Amino-3- (1-naphthyl) -propionic acid
FM158684-01	(S) -2-Methoxy-2- (1-naphthyl) propanoic acid
DDA75136-01	2- (Thiobenzoylthio) propionic acid

Catalog	Name
sc-486151	2-Methoxy-2- (1-naphthyl) propionic Acid
TRC-N373163-250MG	3-(1-Naphthyl)propionic Acid
OR471651-01	3-Amino-3- (2-naphthyl) propionic acid
OR1077786	(S) - (+) -2-Methoxy-2- (1-naphthyl) propionic Acid
284802-01	(R) - (-) -2-Methoxy-2- (1-naphthyl) propionic Acid
260856-01	S-3-Amino-3- (2-naphthyl) propionic acid
sc-296332	(S) -3-Amino-3- (2-naphthyl) propionic acid
MBS9024554-01	(S)-3-Amino-3-(2-naphthyl)-propionic acid
CSB-DT4062	(S) -3-Amino-3- (2-naphthyl) - propionic acid
260855-01	(R) -3-Amino-3- (2-naphthyl) propionic acid