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27762-09-0 | 1,3-Dioxolane-2-acetic acid, 2-methyl-α-phenyl-, ethyl ester
CAS No: 27762-09-0 Catalog No: AG002UON MDL No:
Product Description
Catalog Number:
AG002UON
Chemical Name:
1,3-Dioxolane-2-acetic acid, 2-methyl-α-phenyl-, ethyl ester
CAS Number:
27762-09-0
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate
InChI:
InChI=1S/C14H18O4/c1-3-16-13(15)12(11-7-5-4-6-8-11)14(2)17-9-10-18-14/h4-8,12H,3,9-10H2,1-2H3
InChI Key:
GEESQPQCIYFSEE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C1(C)OCCO1)c1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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