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161007-10-9 | 1,3-Dioxolan-2-one, 4-(phenylmethyl)-
CAS No: 161007-10-9 Catalog No: AG001VL9 MDL No:
Product Description
Catalog Number:
AG001VL9
Chemical Name:
1,3-Dioxolan-2-one, 4-(phenylmethyl)-
CAS Number:
161007-10-9
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
4-benzyl-1,3-dioxolan-2-one
InChI:
InChI=1S/C10H10O3/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:
SLKZVILLZSIVQF-UHFFFAOYSA-N
SMILES:
O=C1OCC(O1)Cc1ccccc1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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