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31384-03-9 | 1-Cyclohexene-1-acetaldehyde, 4-(1-methylethyl)-
CAS No: 31384-03-9 Catalog No: AG007JN9 MDL No:
Product Description
Catalog Number:
AG007JN9
Chemical Name:
1-Cyclohexene-1-acetaldehyde, 4-(1-methylethyl)-
CAS Number:
31384-03-9
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
2-(4-propan-2-ylcyclohexen-1-yl)acetaldehyde
InChI:
InChI=1S/C11H18O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3,8-9,11H,4-7H2,1-2H3
InChI Key:
ADUUUXVSSZPLSA-UHFFFAOYSA-N
SMILES:
O=CCC1=CCC(CC1)C(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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