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p-Anisic Acid

CAT: 0572-TRC-A673300-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A673300-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
100-09-4
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COc1ccc(cc1)C(=O)O
Molecular Formula
C8 H8 O3
Molecular Weight
152.15
InChI
InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
Additionnal Information
IUPAC name: 4-methoxybenzoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Methoxybenzoic Acid

4-methoxybenzoic acid is a methoxybenzoic acid substituted with a methoxy group at position C-4. It has a role as a plant metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 4-methoxybenzoate.

CAS Number100-09-4
PubChem CID7478
IUPAC Name4-methoxybenzoic acid
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
COC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxybenzoic Acid
CAS: 100-09-4
CID: 7478
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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