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821775-52-4 | 4-Hepten-3-one, 7-(2-furanyl)-7-hydroxy-2,2-dimethyl-, (4E,7R)-
CAS No: 821775-52-4 Catalog No: AG0051FW MDL No:
Product Description
Catalog Number:
AG0051FW
Chemical Name:
4-Hepten-3-one, 7-(2-furanyl)-7-hydroxy-2,2-dimethyl-, (4E,7R)-
CAS Number:
821775-52-4
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
(7R)-7-(furan-2-yl)-7-hydroxy-2,2-dimethylhept-4-en-3-one
InChI:
InChI=1S/C13H18O3/c1-13(2,3)12(15)8-4-6-10(14)11-7-5-9-16-11/h4-5,7-10,14H,6H2,1-3H3/t10-/m1/s1
InChI Key:
PPSZVBVHCSXSGS-SNVBAGLBSA-N
SMILES:
O=C(C(C)(C)C)/C=C/C[C@H](c1ccco1)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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