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879053-63-1 | 4-(5-ETHYL-2-METHOXYPHENYL)-4-HYDROXYBUTANOIC ACID
CAS No: 879053-63-1 Catalog No: AG004DZW MDL No:MFCD08056158
Product Description
Catalog Number:
AG004DZW
Chemical Name:
4-(5-ETHYL-2-METHOXYPHENYL)-4-HYDROXYBUTANOIC ACID
CAS Number:
879053-63-1
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
MDL Number:
MFCD08056158
IUPAC Name:
4-(5-ethyl-2-methoxyphenyl)-4-hydroxybutanoic acid
InChI:
InChI=1S/C13H18O4/c1-3-9-4-6-12(17-2)10(8-9)11(14)5-7-13(15)16/h4,6,8,11,14H,3,5,7H2,1-2H3,(H,15,16)
InChI Key:
ZJSIZHYKJPBPCJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(CCC(=O)O)O)CC
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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