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Ethyl 4-methoxybenzoate

CAT: 0127-OR73941-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR73941-01Size:25 g
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CAS Number
94-30-4
MDL Number
MFCD00015151
Purity
98%
Smiles
CCOC(=O)C1=CC=C(C=C1)OC

Chemical Information

Ethyl anisate

Ethyl p-anisate is a methoxybenzoic acid.

CAS Number94-30-4
PubChem CID60979
IUPAC Nameethyl 4-methoxybenzoate
Molecular FormulaC10H12O3
Molecular Weight180.20
XLogP2.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity160
SMILES
CCOC(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
InChIKey
FHUODBDRWMIBQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl anisate
CAS: 94-30-4
CID: 60979
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity160
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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