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125734-44-3 | Benzenemethanol, 4-(diethoxymethyl)-
CAS No: 125734-44-3 Catalog No: AG000OL2 MDL No:
Product Description
Catalog Number:
AG000OL2
Chemical Name:
Benzenemethanol, 4-(diethoxymethyl)-
CAS Number:
125734-44-3
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
[4-(diethoxymethyl)phenyl]methanol
InChI:
InChI=1S/C12H18O3/c1-3-14-12(15-4-2)11-7-5-10(9-13)6-8-11/h5-8,12-13H,3-4,9H2,1-2H3
InChI Key:
NJIFFRZXYZKPFQ-UHFFFAOYSA-N
SMILES:
CCOC(c1ccc(cc1)CO)OCC
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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