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3-m-Tolylpropionic acid

CAT: 0024-sc-266708Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-266708Size:1 g
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CAS Number
3751-48-2

Chemical Information

3-(3-Methylphenyl)propionic acid
CAS Number3751-48-2
PubChem CID138042
IUPAC Name3-(3-methylphenyl)propanoic acid
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP2.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
CC1=CC(=CC=C1)CCC(=O)O
InChI
InChI=1S/C10H12O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKey
VWXVTHDQAOAENP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-Methylphenyl)propionic acid
CAS: 3751-48-2
CID: 138042
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area37.3 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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