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2-Amino-3',4'-dihydroxypropiophenone

CAT: 0024-sc-206376Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-206376Size:50 mg
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CAS Number
19490-60-9

Chemical Information

2-Amino-1-(3,4-dihydroxyphenyl)propan-1-one
CAS Number19490-60-9
PubChem CID4138274
IUPAC Name2-amino-1-(3,4-dihydroxyphenyl)propan-1-one
Molecular FormulaC9H11NO3
Molecular Weight181.19
XLogP0.4
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity195
SMILES
CC(C(=O)C1=CC(=C(C=C1)O)O)N
InChI
InChI=1S/C9H11NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,11-12H,10H2,1H3
InChIKey
VTUFBPJUFSJZCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-1-(3,4-dihydroxyphenyl)propan-1-one
CAS: 19490-60-9
CID: 4138274
Formula: C9H11NO3
MW: 181.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.19
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass181.07389321
Monoisotopic Mass181.07389321
Topological Polar Surface Area83.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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