6-Propoxy-2-naphthoic acid

CAT: 0127-OR1098290Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1098290Size:1 g

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CAS Number

561013-50-1

MDL Number

MFCD32707123

Purity

97%

Smiles

C12ccc (cc1ccc (c2) OCCC) C (=O) O

Chemical Information

6-Propoxy-2-naphthoic acid

CAS Number	561013-50-1
PubChem CID	21920153
IUPAC Name	6-propoxynaphthalene-2-carboxylic acid
Molecular Formula	C14H14O3
Molecular Weight	230.26
XLogP	3.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	264

SMILES

CCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)O

InChI

InChI=1S/C14H14O3/c1-2-7-17-13-6-5-10-8-12(14(15)16)4-3-11(10)9-13/h3-6,8-9H,2,7H2,1H3,(H,15,16)

InChIKey

FPJJVIAKWJHUMA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 561013-50-1

CID: 21920153

Formula: C14H14O3

MW: 230.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.26
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	230.094294304
Monoisotopic Mass	230.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	264
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
OR1061470-01	6-Formyl-2-naphthoic acid
PC1010015	6- (Difluoromethoxy) -2-naphthoic acid
PC6622-01	6-Fluoro-2-naphthoic acid
OR51725-01	6-Amino-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
OR1034157-01	6- (Hydroxymethyl) -2-naphthoic acid

Catalog	Name
FAA04297-01	6-Chloro-2-naphthoic acid
T0556	6-Methoxy-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
UZC91240-01	AZD5153 (6-Hydroxy-2-naphthoic Acid)
MBS3602891-01	AZD5153 6-Hydroxy-2-naphthoic acid