Home Other Building Blocks 2-[(4-methoxyphenyl)methyl]-4-methylpentanoic acid

2-[(4-methoxyphenyl)methyl]-4-methylpentanoic acid

CAS No.:
1183652-68-7
Catalog Number:
AG01C1KS
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
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Product Description
Catalog Number:
AG01C1KS
Chemical Name:
2-[(4-methoxyphenyl)methyl]-4-methylpentanoic acid
CAS Number:
1183652-68-7
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
MDL Number:
MFCD12722952
IUPAC Name:
2-[(4-methoxyphenyl)methyl]-4-methylpentanoic acid
InChI:
InChI=1S/C14H20O3/c1-10(2)8-12(14(15)16)9-11-4-6-13(17-3)7-5-11/h4-7,10,12H,8-9H2,1-3H3,(H,15,16)
InChI Key:
DXHXUVAKLCVUEW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(C(=O)O)CC(C)C
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties