1-Naphthoic acid methyl ester

CAT: 0127-OR923930-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR923930-01Size:5 g

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CAS Number

2459-24-7

MDL Number

MFCD00094243

Purity

98%

Smiles

COC(=O)c1cccc2ccccc12

Chemical Information

Naphthalenecarboxylic acid, methyl ester

CAS Number	2459-24-7
PubChem CID	120056
IUPAC Name	methyl naphthalene-1-carboxylate
Molecular Formula	C12H10O2
Molecular Weight	186.21
XLogP	3.4
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

COC(=O)C1=CC=CC2=CC=CC=C21

InChI

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

InChIKey

HMRROBKAACRWBP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2459-24-7

CID: 120056

Formula: C12H10O2

MW: 186.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.21
XLogP3	3.4
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

Catalog	Name
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OR315051-01	4-Methyl-1-naphthoic acid
OR925255-01	1-Naphthoic acid
OR1074072-01	6-Methyl-2-naphthoic acid
PC1018330-01	4-Fluoro-3-methyl-1-naphthoic acid
OR1076995	5- (((tert-Butoxycarbonyl) amino) methyl) -1-naphthoic acid
OR1043331-01	Cyclobutanecarboxylic acid, 1-methyl-, methyl ester
OR931999-01	1-Naphthaleneacetic acid methyl ester
OR91889-01	4-Methyl-1-piperazineacetic acid methyl ester

Catalog	Name
278641-01	2-Hydroxy-3-naphthoic acid methyl ester
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MBS6047625-01	1-Hydroxycyclopropanecarboxylic Acid Methyl Ester
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