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101948-33-8 | Butanoic acid, 4-[2-[(4-hydroxyphenyl)methyl]phenoxy]-
CAS No: 101948-33-8 Catalog No: AG000620 MDL No:
Product Description
Catalog Number:
AG000620
Chemical Name:
Butanoic acid, 4-[2-[(4-hydroxyphenyl)methyl]phenoxy]-
CAS Number:
101948-33-8
Molecular Formula:
C17H18O4
Molecular Weight:
286.3224
IUPAC Name:
4-[2-[(4-hydroxyphenyl)methyl]phenoxy]butanoic acid
InChI:
InChI=1S/C17H18O4/c18-15-9-7-13(8-10-15)12-14-4-1-2-5-16(14)21-11-3-6-17(19)20/h1-2,4-5,7-10,18H,3,6,11-12H2,(H,19,20)
InChI Key:
WXKHSQLJLUSWQT-UHFFFAOYSA-N
SMILES:
OC(=O)CCCOc1ccccc1Cc1ccc(cc1)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.327g/mol
Monoisotopic Mass:
286.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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