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4-Nitrophenyl propionate

CAT: 0127-OR8633Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR8633Size:1 Each
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CAS Number
1956-06-5
MDL Number
MFCD00024664
Purity
≥95%

Chemical Information

p-Nitrophenyl propionate
CAS Number1956-06-5
PubChem CID74777
IUPAC Name(4-nitrophenyl) propanoate
Molecular FormulaC9H9NO4
Molecular Weight195.17
XLogP2
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity215
SMILES
CCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO4/c1-2-9(11)14-8-5-3-7(4-6-8)10(12)13/h3-6H,2H2,1H3
InChIKey
DCQWRDUXRZSWHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Nitrophenyl propionate
CAS: 1956-06-5
CID: 74777
Formula: C9H9NO4
MW: 195.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight195.17
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass195.05315777
Monoisotopic Mass195.05315777
Topological Polar Surface Area72.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity215
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