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132307-88-1 | Benzenebutanol, 4-(1,1-dimethylethoxy)-
CAS No: 132307-88-1 Catalog No: AG0010ID MDL No:
Product Description
Catalog Number:
AG0010ID
Chemical Name:
Benzenebutanol, 4-(1,1-dimethylethoxy)-
CAS Number:
132307-88-1
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-ol
InChI:
InChI=1S/C14H22O2/c1-14(2,3)16-13-9-7-12(8-10-13)6-4-5-11-15/h7-10,15H,4-6,11H2,1-3H3
InChI Key:
YRRPNUMAEAXTGQ-UHFFFAOYSA-N
SMILES:
OCCCCc1ccc(cc1)OC(C)(C)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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