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89655-33-4 | Propanoic acid, 2-(4-tert-hexylphenoxy)-
CAS No: 89655-33-4 Catalog No: AG00465C MDL No:
Product Description
Catalog Number:
AG00465C
Chemical Name:
Propanoic acid, 2-(4-tert-hexylphenoxy)-
CAS Number:
89655-33-4
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
2-[4-(2-methylpentan-2-yl)phenoxy]propanoic acid
InChI:
InChI=1S/C15H22O3/c1-5-10-15(3,4)12-6-8-13(9-7-12)18-11(2)14(16)17/h6-9,11H,5,10H2,1-4H3,(H,16,17)
InChI Key:
HSLIGJKSNTXBPF-UHFFFAOYSA-N
SMILES:
CCCC(c1ccc(cc1)OC(C(=O)O)C)(C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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