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850348-64-0 | 1,3-Dioxolane,2-(phenoxymethyl)-
CAS No: 850348-64-0 Catalog No: AG004SYP MDL No:
Product Description
Catalog Number:
AG004SYP
Chemical Name:
1,3-Dioxolane,2-(phenoxymethyl)-
CAS Number:
850348-64-0
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
2-(phenoxymethyl)-1,3-dioxolane
InChI:
InChI=1S/C10H12O3/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5,10H,6-8H2
InChI Key:
JUBGTNZSEDVLTO-UHFFFAOYSA-N
SMILES:
C1COC(O1)COc1ccccc1
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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