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27841-22-1 | 3-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-
CAS No: 27841-22-1 Catalog No: AG002UWY MDL No:
Product Description
Catalog Number:
AG002UWY
Chemical Name:
3-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-
CAS Number:
27841-22-1
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
4-propan-2-ylcyclohex-3-ene-1-carbaldehyde
InChI:
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h5,7-9H,3-4,6H2,1-2H3
InChI Key:
MGJVBPPEWVKZTN-UHFFFAOYSA-N
SMILES:
O=CC1CCC(=CC1)C(C)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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