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79706-38-0 | Benzenemethanol, 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]-
CAS No: 79706-38-0 Catalog No: AG005ILS MDL No:
Product Description
Catalog Number:
AG005ILS
Chemical Name:
Benzenemethanol, 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]-
CAS Number:
79706-38-0
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
[4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenyl]methanol
InChI:
InChI=1S/C12H16O3/c1-12(14-6-7-15-12)8-10-2-4-11(9-13)5-3-10/h2-5,13H,6-9H2,1H3
InChI Key:
KNIAFOXCWABBER-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)CC1(C)OCCO1
Properties
Complexity:
191
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:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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