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116296-75-4 | 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
CAS No: 116296-75-4 Catalog No: AG000C5L MDL No:
Product Description
Catalog Number:
AG000C5L
Chemical Name:
3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
CAS Number:
116296-75-4
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
InChI:
InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3
InChI Key:
HFRZSVYKDDZRQY-UHFFFAOYSA-N
SMILES:
OC1CC(=C(C(C1)(C)C)/C=C/C(=O)C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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