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1309960-43-7 | Benzenepropanoic acid, β-hydroxy-4-methoxy-α,α-dimethyl-β-phenyl-
CAS No: 1309960-43-7 Catalog No: AG000V83 MDL No:
Product Description
Catalog Number:
AG000V83
Chemical Name:
Benzenepropanoic acid, β-hydroxy-4-methoxy-α,α-dimethyl-β-phenyl-
CAS Number:
1309960-43-7
Molecular Formula:
C18H20O4
Molecular Weight:
300.3490
IUPAC Name:
3-hydroxy-3-(4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanoic acid
InChI:
InChI=1S/C18H20O4/c1-17(2,16(19)20)18(21,13-7-5-4-6-8-13)14-9-11-15(22-3)12-10-14/h4-12,21H,1-3H3,(H,19,20)
InChI Key:
KETAMYMKOMKRIS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C(C(=O)O)(C)C)(c1ccccc1)O
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.354g/mol
Monoisotopic Mass:
300.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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