1,3-Dihydroxy-2-naphthoic acid

CAT: 0926-FD154238-01Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-FD154238-01Size:2 g

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CAS Number

3147-58-8

Smiles

C1=CC=C2C (=C1) C=C (C (=C2O) C (=O) O) O

Molecular Formula

C11H8O4

Molecular Weight

204.18 g/mol

Controlled

Chemical Information

1,3-Dihydroxy-2-naphthoic acid

CAS Number	3147-58-8
PubChem CID	11138182
IUPAC Name	1,3-dihydroxynaphthalene-2-carboxylic acid
Molecular Formula	C11H8O4
Molecular Weight	204.18
XLogP	2.6
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	253

SMILES

C1=CC=C2C(=C1)C=C(C(=C2O)C(=O)O)O

InChI

InChI=1S/C11H8O4/c12-8-5-6-3-1-2-4-7(6)10(13)9(8)11(14)15/h1-5,12-13H,(H,14,15)

InChIKey

USZZLTVYRPLBMB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3147-58-8

CID: 11138182

Formula: C11H8O4

MW: 204.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.18
XLogP3	2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	204.04225873
Monoisotopic Mass	204.04225873
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	253
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
OR1007447-01	1,3-Dihydroxy-2-naphthoic acid
OR322022	3,7-Dihydroxy-2-naphthoic acid
sc-232109	3,5-Dihydroxy-2-naphthoic acid
D30090-01	2,8-Dihydroxy-3-naphthoic acid
273451-01	1,4-Dihydroxy-2-naphthoic acid
HY-W014701R-01	1,4-Dihydroxy-2-naphthoic acid (Standard)
RG-A263314-01	2-Naphthoic Acid
sc-276216	3-ethoxy-2-naphthoic acid
HY-W005148-01	3-Amino-2-naphthoic acid
425933-01	3-Hydroxy-2-naphthoic acid