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1257397-57-1 | Benzeneacetic acid, α-(2,2-dimethylpropyl)-3-hydroxy-
CAS No: 1257397-57-1 Catalog No: AG000OLF MDL No:
Product Description
Catalog Number:
AG000OLF
Chemical Name:
Benzeneacetic acid, α-(2,2-dimethylpropyl)-3-hydroxy-
CAS Number:
1257397-57-1
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
2-(3-hydroxyphenyl)-4,4-dimethylpentanoic acid
InChI:
InChI=1S/C13H18O3/c1-13(2,3)8-11(12(15)16)9-5-4-6-10(14)7-9/h4-7,11,14H,8H2,1-3H3,(H,15,16)
InChI Key:
FLXDQQZSINJNBM-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccc(c1)O)CC(C)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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