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benzyl 3-hydroxypentanoate

CAS No.:
2138559-81-4
Catalog Number:
AG01EMTE
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
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Product Description
Catalog Number:
AG01EMTE
Chemical Name:
benzyl 3-hydroxypentanoate
CAS Number:
2138559-81-4
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD31559822
IUPAC Name:
benzyl 3-hydroxypentanoate
InChI:
InChI=1S/C12H16O3/c1-2-11(13)8-12(14)15-9-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3
InChI Key:
XHAUWJOVYCAKFT-UHFFFAOYSA-N
SMILES:
CCC(CC(=O)OCc1ccccc1)O
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties