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192506-34-6 | 1,3-Dioxolane-4-ethanol, 2,2-dimethyl-, 4-benzoate, (4R)-
CAS No: 192506-34-6 Catalog No: AG002G0S MDL No:
Product Description
Catalog Number:
AG002G0S
Chemical Name:
1,3-Dioxolane-4-ethanol, 2,2-dimethyl-, 4-benzoate, (4R)-
CAS Number:
192506-34-6
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
benzoic acid;2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
InChI:
InChI=1S/C7H14O3.C7H6O2/c1-7(2)9-5-6(10-7)3-4-8;8-7(9)6-4-2-1-3-5-6/h6,8H,3-5H2,1-2H3;1-5H,(H,8,9)/t6-;/m1./s1
InChI Key:
OQPXMWQVDJOHMX-FYZOBXCZSA-N
SMILES:
O=C(c1ccccc1)OCC[C@@H]1COC(O1)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
268.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.309g/mol
Monoisotopic Mass:
268.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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