6-Formyl-2-naphthoic acid

CAT: 0127-OR1061470-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1061470-01Size:100 mg

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CAS Number

5084-45-7

MDL Number

MFCD24479677

Purity

98%

Smiles

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

Chemical Information

2-Formyl-6-naphthoic acid

structure in first source

CAS Number	5084-45-7
PubChem CID	15919523
IUPAC Name	6-formylnaphthalene-2-carboxylic acid
Molecular Formula	C12H8O3
Molecular Weight	200.19
XLogP	2.7
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	262

SMILES

C1=CC2=C(C=CC(=C2)C(=O)O)C=C1C=O

InChI

InChI=1S/C12H8O3/c13-7-8-1-2-10-6-11(12(14)15)4-3-9(10)5-8/h1-7H,(H,14,15)

InChIKey

SHFLOIUZUDNHFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5084-45-7

CID: 15919523

Formula: C12H8O3

MW: 200.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.19
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	200.047344113
Monoisotopic Mass	200.047344113
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	262
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
OR1087718-01	4-Formyl-1-naphthoic acid
OR1098290	6-Propoxy-2-naphthoic acid
PC1010015	6- (Difluoromethoxy) -2-naphthoic acid
OR51725-01	6-Amino-2-naphthoic acid
PC6622-01	6-Fluoro-2-naphthoic acid
OR70092-01	6-Bromo-2-naphthoic acid
OR10498-01	6-Hydroxy-2-naphthoic acid
BUP17399	6-Methoxy-2-naphthoic acid
OR1089236-01	6-Isobutoxy-2-naphthoic acid
OR1088318	6-Isopropoxy-2-naphthoic acid

Catalog	Name
C7044-100	6-Methoxy-2-naphthoic acid
FAA04297-01	6-Chloro-2-naphthoic acid
H7340-01	6-Hydroxy-2-Naphthoic Acid
FAA04305-01	6- (Dimethylamino) -2-naphthoic acid
sc-233575	6-Fluoro-2-naphthoic acid
sc-281468	6-Amino-2-naphthoic acid
sc-278462	6-Bromo-2-naphthoic acid
sc-268190	6-Acetoxy-2-naphthoic acid
RG-A263314-01	2-Naphthoic Acid