5-Hydroxy-1-naphthoic acid

CAT: 0127-OR84759-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR84759-01Size:100 mg

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CAS Number

2437-16-3

MDL Number

MFCD11870759

Purity

98%

Smiles

O=C(O)C1=C2C=CC=C(O)C2=CC=C1

Chemical Information

5-Hydroxy-1-naphthoic acid

CAS Number	2437-16-3
PubChem CID	75531
IUPAC Name	5-hydroxynaphthalene-1-carboxylic acid
Molecular Formula	C11H8O3
Molecular Weight	188.18
XLogP	2.7
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	227

SMILES

C1=CC2=C(C=CC=C2O)C(=C1)C(=O)O

InChI

InChI=1S/C11H8O3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6,12H,(H,13,14)

InChIKey

NYYMNZLORMNCKK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2437-16-3

CID: 75531

Formula: C11H8O3

MW: 188.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.18
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	188.047344113
Monoisotopic Mass	188.047344113
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	227
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
TRC-H950850-10G	1-Hydroxy-2-naphthoic Acid
sc-230377	2-Hydroxy-1-naphthoic acid
abx182307-01	6-Hydroxy-1-naphthoic acid
RG-P022552-01	4-Hydroxy-1-Naphthoic Acid
HY-W016103R-01	1-Hydroxy-2-naphthoic acid (Standard)
1425F 01000	3-Hydroxy-2-Naphthoic Acid 97.5%