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72928-28-0 | 2-Cyclohexene-1-acetaldehyde,a,2-dimethyl-5-(1-methylethenyl)-
CAS No: 72928-28-0 Catalog No: AG008QW8 MDL No:
Product Description
Catalog Number:
AG008QW8
Chemical Name:
2-Cyclohexene-1-acetaldehyde,a,2-dimethyl-5-(1-methylethenyl)-
CAS Number:
72928-28-0
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanal
InChI:
InChI=1S/C13H20O/c1-9(2)12-6-5-10(3)13(7-12)11(4)8-14/h5,8,11-13H,1,6-7H2,2-4H3
InChI Key:
PBEWYCCRRKCGGW-UHFFFAOYSA-N
SMILES:
O=CC(C1CC(CC=C1C)C(=C)C)C
EC Number:
277-062-2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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