Home Other Building Blocks 3-(4-methoxyphenyl)butan-2-one

3-(4-methoxyphenyl)butan-2-one

CAS No.:
7074-12-6
Catalog Number:
AG019TCP
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
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Product Description
Catalog Number:
AG019TCP
Chemical Name:
3-(4-methoxyphenyl)butan-2-one
CAS Number:
7074-12-6
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD21602558
IUPAC Name:
3-(4-methoxyphenyl)butan-2-one
InChI:
InChI=1S/C11H14O2/c1-8(9(2)12)10-4-6-11(13-3)7-5-10/h4-8H,1-3H3
InChI Key:
OWMXLURRBPTXHT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C(=O)C)C
NSC Number:
245177
Properties
Complexity:
169  
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:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties