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2,4-Dinitrophenyl Butyrate

CAT: 0572-TRC-D263725-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D263725-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24273-19-6
Hazard Statement
No Data Available
Smiles
CCCC(=O)Oc1ccc(cc1N(=O)=O)N(=O)=O
Molecular Formula
C10 H10 N2 O6
Molecular Weight
254.196
InChI
InChI=1S/C10H10N2O6/c1-2-3-10(13)18-9-5-4-7(11(14)15)6-8(9)12(16)17/h4-6H,2-3H2,1H3
Additionnal Information
IUPAC name: (2,4-dinitrophenyl) butanoate
Shipping Conditions
Room Temperature

Chemical Information

Butanoic acid, 2,4-dinitrophenyl ester
CAS Number24273-19-6
PubChem CID90436
IUPAC Name(2,4-dinitrophenyl) butanoate
Molecular FormulaC10H10N2O6
Molecular Weight254.20
XLogP2.2
Topological Polar Surface Area118
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity334
SMILES
CCCC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O6/c1-2-3-10(13)18-9-5-4-7(11(14)15)6-8(9)12(16)17/h4-6H,2-3H2,1H3
InChIKey
SBVYGYGWGWKSIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butanoic acid, 2,4-dinitrophenyl ester
CAS: 24273-19-6
CID: 90436
Formula: C10H10N2O6
MW: 254.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.20
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass254.05388604
Monoisotopic Mass254.05388604
Topological Polar Surface Area118 Ų
Heavy Atom Count18
Formal Charge0
Complexity334
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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