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23203-47-6 | Benzenebutanoic acid, 4-hydroxy-γ,γ-dimethyl-
CAS No: 23203-47-6 Catalog No: AG002MIY MDL No:
Product Description
Catalog Number:
AG002MIY
Chemical Name:
Benzenebutanoic acid, 4-hydroxy-γ,γ-dimethyl-
CAS Number:
23203-47-6
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
4-(4-hydroxyphenyl)-4-methylpentanoic acid
InChI:
InChI=1S/C12H16O3/c1-12(2,8-7-11(14)15)9-3-5-10(13)6-4-9/h3-6,13H,7-8H2,1-2H3,(H,14,15)
InChI Key:
YNFVQZNJUUEZQP-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(c1ccc(cc1)O)(C)C
NSC Number:
39129
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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