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101448-09-3 | Benzene, (1,3,3-triethoxy-1-methylpropyl)-
CAS No: 101448-09-3 Catalog No: AG0004I5 MDL No:
Product Description
Catalog Number:
AG0004I5
Chemical Name:
Benzene, (1,3,3-triethoxy-1-methylpropyl)-
CAS Number:
101448-09-3
Molecular Formula:
C16H26O3
Molecular Weight:
266.3758
IUPAC Name:
2,4,4-triethoxybutan-2-ylbenzene
InChI:
InChI=1S/C16H26O3/c1-5-17-15(18-6-2)13-16(4,19-7-3)14-11-9-8-10-12-14/h8-12,15H,5-7,13H2,1-4H3
InChI Key:
XHJQSFYTZHMIJS-UHFFFAOYSA-N
SMILES:
CCOC(c1ccccc1)(CC(OCC)OCC)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.188g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.381g/mol
Monoisotopic Mass:
266.188g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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