4-Methoxy-1-naphthoic Acid

CAT: 0572-TRC-M264750-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-M264750-100MGSize:100 mg

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CAS Number

13041-62-8

Synonyms

4-Methoxy-1-naphthalenecarboxylic Acid; 4-Methoxy-1-naphthoic Acid; 4-Methoxy-alpha-naphthoic Acid

Hazard Statement

No Data Available

Smiles

COc1ccc(C(=O)O)c2ccccc12

Molecular Formula

C12H10O3

Molecular Weight

202.21

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

4-Methoxynaphthalene-1-carboxylic acid

CAS Number	13041-62-8
PubChem CID	765380
IUPAC Name	4-methoxynaphthalene-1-carboxylic acid
Molecular Formula	C12H10O3
Molecular Weight	202.21
XLogP	3.1
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

COC1=CC=C(C2=CC=CC=C21)C(=O)O

InChI

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

InChIKey

WRQHSQDGYYDRMX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13041-62-8

CID: 765380

Formula: C12H10O3

MW: 202.21

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	202.21
XLogP3	3.1
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

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4-Methoxy-1-naphthoic Acid

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