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1246646-00-3 | Benzenepentanoic acid, 2-hydroxy-, ethyl ester
CAS No: 1246646-00-3 Catalog No: AG000MKT MDL No:MFCD12755825
Product Description
Catalog Number:
AG000MKT
Chemical Name:
Benzenepentanoic acid, 2-hydroxy-, ethyl ester
CAS Number:
1246646-00-3
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD12755825
IUPAC Name:
4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
InChI:
InChI=1S/C13H17F3O/c1-9(2)3-8-12(17)10-4-6-11(7-5-10)13(14,15)16/h4-7,9,12,17H,3,8H2,1-2H3
InChI Key:
PMBZJKZBSCOAEQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCc1ccccc1O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.273g/mol
Monoisotopic Mass:
246.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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