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Ethyl 2-methylbenzoate

CAT: 0024-sc-357352Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-357352Size:25 g
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CAS Number
87-24-1

Chemical Information

Ethyl 2-methylbenzoate
CAS Number87-24-1
PubChem CID66598
IUPAC Nameethyl 2-methylbenzoate
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP3.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
CCOC(=O)C1=CC=CC=C1C
InChI
InChI=1S/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
InChIKey
SOUAXOGPALPTTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-methylbenzoate
CAS: 87-24-1
CID: 66598
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
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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