Home Other Building Blocks 4-methyl-2-(2-phenylethyl)pentanoic acid

4-methyl-2-(2-phenylethyl)pentanoic acid

CAS No.:
858491-87-9
Catalog Number:
AG01EKBV
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
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Product Description
Catalog Number:
AG01EKBV
Chemical Name:
4-methyl-2-(2-phenylethyl)pentanoic acid
CAS Number:
858491-87-9
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
MDL Number:
MFCD16311387
IUPAC Name:
4-methyl-2-(2-phenylethyl)pentanoic acid
InChI:
InChI=1S/C14H20O2/c1-11(2)10-13(14(15)16)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16)
InChI Key:
AHCWJXSPNYCXTQ-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)O)CCc1ccccc1)C
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties