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101268-32-0 | Acetic acid, 2-[4-(3-hydroxy-3-methylbutyl)phenoxy]-
CAS No: 101268-32-0 Catalog No: AG00043T MDL No:
Product Description
Catalog Number:
AG00043T
Chemical Name:
Acetic acid, 2-[4-(3-hydroxy-3-methylbutyl)phenoxy]-
CAS Number:
101268-32-0
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
2-[4-(3-hydroxy-3-methylbutyl)phenoxy]acetic acid
InChI:
InChI=1S/C13H18O4/c1-13(2,16)8-7-10-3-5-11(6-4-10)17-9-12(14)15/h3-6,16H,7-9H2,1-2H3,(H,14,15)
InChI Key:
WBFGIKRJLHVCOF-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)CCC(O)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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