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85733-05-7 | Benzenepropanoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
CAS No: 85733-05-7 Catalog No: AG004SDW MDL No:
Product Description
Catalog Number:
AG004SDW
Chemical Name:
Benzenepropanoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
CAS Number:
85733-05-7
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-phenylpropanoate
InChI:
InChI=1S/C15H20O4/c1-15(2)18-11-13(19-15)10-17-14(16)9-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChI Key:
PZPGOTVDVRXOLA-UHFFFAOYSA-N
SMILES:
O=C(CCc1ccccc1)OCC1COC(O1)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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