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197158-51-3 | Propanoic acid, 2-(4-ethylphenoxy)-, butyl ester, (2S)-
CAS No: 197158-51-3 Catalog No: AG002AMZ MDL No:
Product Description
Catalog Number:
AG002AMZ
Chemical Name:
Propanoic acid, 2-(4-ethylphenoxy)-, butyl ester, (2S)-
CAS Number:
197158-51-3
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
butyl (2S)-2-(4-ethylphenoxy)propanoate
InChI:
InChI=1S/C15H22O3/c1-4-6-11-17-15(16)12(3)18-14-9-7-13(5-2)8-10-14/h7-10,12H,4-6,11H2,1-3H3/t12-/m0/s1
InChI Key:
QEYBENWPCPEDBQ-LBPRGKRZSA-N
SMILES:
CCCCOC(=O)[C@@H](Oc1ccc(cc1)CC)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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