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Benzylpropyl acetate

CAT: 0931-TN7375-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7375-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7492-40-2
Target
Others
Related Pathways
Others
Bioactivity
Benzylpropyl acetate is a natural product that can be used as a reference standard. The CAS number of Benzylpropyl acetate is 7492-40-2.
Smiles
C(CCCOC(C)=O)C1=CC=CC=C1
Molecular Formula
C12H16O2
Molecular Weight
192.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzylpropyl acetate
CAS Number7492-40-2
PubChem CID316751
IUPAC Name4-phenylbutyl acetate
Molecular FormulaC12H16O2
Molecular Weight192.25
XLogP2.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity160
SMILES
CC(=O)OCCCCC1=CC=CC=C1
InChI
InChI=1S/C12H16O2/c1-11(13)14-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey
NRLAFFPEVBOYCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzylpropyl acetate
CAS: 7492-40-2
CID: 316751
Formula: C12H16O2
MW: 192.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.25
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass192.115029749
Monoisotopic Mass192.115029749
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity160
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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