Methyl 3-Hydroxy-2-naphthoate

CAT: 0127-OR74974-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR74974-01Size:25 g

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CAS Number

883-99-8

MDL Number

MFCD00004099

Purity

98%

Smiles

O=C(OC)C1=CC2=CC=CC=C2C=C1O

Chemical Information

Methyl 3-hydroxy-2-naphthoate

CAS Number	883-99-8
PubChem CID	70163
IUPAC Name	methyl 3-hydroxynaphthalene-2-carboxylate
Molecular Formula	C12H10O3
Molecular Weight	202.21
XLogP	3.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	239

SMILES

COC(=O)C1=CC2=CC=CC=C2C=C1O

InChI

InChI=1S/C12H10O3/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7,13H,1H3

InChIKey

YVVBECLPRBAATK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 883-99-8

CID: 70163

Formula: C12H10O3

MW: 202.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.21
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	202.062994177
Monoisotopic Mass	202.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	239
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
OR1068623-01	Methyl 5-hydroxy-2-naphthoate
OR83935-01	Methyl 4-hydroxy-2-naphthoate
OR921588-01	Methyl 6-hydroxy-2-naphthoate
OR75810-01	Methyl 7-hydroxy-2-naphthoate
OR95898-01	Methyl 7-bromo-3-hydroxy-2-naphthoate
OR95058-01	Methyl 4-hydroxy-8-methyl-2-naphthoate
OR1040708-01	Phenyl 3-hydroxy-2-naphthoate
OR27972-01	Ethyl 3-hydroxy-2-naphthoate
OR73644-01	Methyl 4-hydroxy-1-naphthoate
OR81794-01	Methyl 5-hydroxy-1-naphthoate

Catalog	Name
sc-250352	Methyl 3-hydroxy-2-naphthoate
VDA90105-01	Methyl 7-hydroxy-2-naphthoate
AAA94803	Methyl 1-hydroxy-2-naphthoate
sc-489723	Methyl 6-Hydroxy-2-naphthoate
sc-269428	Methyl 2-hydroxy-1-naphthoate
sc-328579	Methyl 3,6-dibromo-2-hydroxy-1-naphthoate
sc-479166	Methyl 6-Hydroxy-1-Naphthoate
sc-358354	Methyl 8-hydroxy-1-naphthoate
abx182528-01	Methyl 2-naphthoate
NKA02675	Methyl 6- (dimethylamino) -4-hydroxy-2-naphthoate