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115057-35-7 | Acetic acid, 2-[4-[hydroxy(4-methoxyphenyl)methyl]-2-methylphenoxy]-
CAS No: 115057-35-7 Catalog No: AG000FTT MDL No:
Product Description
Catalog Number:
AG000FTT
Chemical Name:
Acetic acid, 2-[4-[hydroxy(4-methoxyphenyl)methyl]-2-methylphenoxy]-
CAS Number:
115057-35-7
Molecular Formula:
C17H18O5
Molecular Weight:
302.3218
IUPAC Name:
2-[4-[hydroxy-(4-methoxyphenyl)methyl]-2-methylphenoxy]acetic acid
InChI:
InChI=1S/C17H18O5/c1-11-9-13(5-8-15(11)22-10-16(18)19)17(20)12-3-6-14(21-2)7-4-12/h3-9,17,20H,10H2,1-2H3,(H,18,19)
InChI Key:
MOTKUPDKOHVDNL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(c(c1)C)OCC(=O)O)O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.326g/mol
Monoisotopic Mass:
302.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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