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

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

CAS No.:
77334-12-4
Catalog Number:
AG01BDTR
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG01BDTR
Chemical Name:
4-(3-hydroxy-4-methoxyphenyl)butan-2-one
CAS Number:
77334-12-4
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD21324438
IUPAC Name:
4-(3-hydroxy-4-methoxyphenyl)butan-2-one
InChI:
InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-11(14-2)10(13)7-9/h5-7,13H,3-4H2,1-2H3
InChI Key:
PVFXJRIXTNKSIF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1O)CCC(=O)C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties