Home Other Building Blocks 1-Benzyloxy-butan-2-one

1-Benzyloxy-butan-2-one

CAS No.:
265664-91-3
Catalog Number:
AG01EUN7
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
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Product Description
Catalog Number:
AG01EUN7
Chemical Name:
1-Benzyloxy-butan-2-one
CAS Number:
265664-91-3
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD16167181
IUPAC Name:
1-phenylmethoxybutan-2-one
InChI:
InChI=1S/C11H14O2/c1-2-11(12)9-13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
PAOKDBPSOMEMNP-UHFFFAOYSA-N
SMILES:
CCC(=O)COCc1ccccc1
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties