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114021-31-7 | 2-Furanmethanol, 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-, 2-benzoate
CAS No: 114021-31-7 Catalog No: AG000AC5 MDL No:
Product Description
Catalog Number:
AG000AC5
Chemical Name:
2-Furanmethanol, 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-, 2-benzoate
CAS Number:
114021-31-7
Molecular Formula:
C19H22O5
Molecular Weight:
330.3750
IUPAC Name:
benzoic acid;[5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)furan-2-yl]methanol
InChI:
InChI=1S/C12H18O4.C7H6O2/c1-11(2)12(3,4)16-10(15-11)9-6-5-8(7-13)14-9;8-7(9)6-4-2-1-3-5-6/h5-6,10,13H,7H2,1-4H3;1-5H,(H,8,9)
InChI Key:
RAYNLOMXSMHMIZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OCc1ccc(o1)C1OC(C(O1)(C)C)(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.395g/mol
Monoisotopic Mass:
348.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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