Home Other Building Blocks 2-[3-(propan-2-yl)phenyl]acetic acid

2-[3-(propan-2-yl)phenyl]acetic acid

CAS No.:
81049-21-0
Catalog Number:
AG01C237
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
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Product Description
Catalog Number:
AG01C237
Chemical Name:
2-[3-(propan-2-yl)phenyl]acetic acid
CAS Number:
81049-21-0
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD15523568
IUPAC Name:
2-(3-propan-2-ylphenyl)acetic acid
InChI:
InChI=1S/C11H14O2/c1-8(2)10-5-3-4-9(6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChI Key:
HKHSMVNJOVGOCD-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)C(C)C
Properties
Complexity:
175  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties