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101267-73-6 | Acetic acid, 2-[4-(1,1-dimethylpropyl)phenoxy]-
CAS No: 101267-73-6 Catalog No: AG00043V MDL No:MFCD06823817
Product Description
Catalog Number:
AG00043V
Chemical Name:
Acetic acid, 2-[4-(1,1-dimethylpropyl)phenoxy]-
CAS Number:
101267-73-6
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD06823817
IUPAC Name:
2-[4-(2-methylbutan-2-yl)phenoxy]acetic acid
InChI:
InChI=1S/C13H18O3/c1-4-13(2,3)10-5-7-11(8-6-10)16-9-12(14)15/h5-8H,4,9H2,1-3H3,(H,14,15)
InChI Key:
YVDCGOWSUYVCSD-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)OCC(=O)O)(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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