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821770-22-3 | Butanal, 4-[4-(1-hydroxy-1-methylethyl)cyclohexylidene]-
CAS No: 821770-22-3 Catalog No: AG0050WC MDL No:
Product Description
Catalog Number:
AG0050WC
Chemical Name:
Butanal, 4-[4-(1-hydroxy-1-methylethyl)cyclohexylidene]-
CAS Number:
821770-22-3
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
4-[4-(2-hydroxypropan-2-yl)cyclohexylidene]butanal
InChI:
InChI=1S/C13H22O2/c1-13(2,15)12-8-6-11(7-9-12)5-3-4-10-14/h5,10,12,15H,3-4,6-9H2,1-2H3
InChI Key:
JEPUMXAGLMHORY-UHFFFAOYSA-N
SMILES:
O=CCCC=C1CCC(CC1)C(O)(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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