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14505-74-9 | 2-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-, (1S)-
CAS No: 14505-74-9 Catalog No: AG001KI6 MDL No:
Product Description
Catalog Number:
AG001KI6
Chemical Name:
2-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-, (1S)-
CAS Number:
14505-74-9
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
(1S)-2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde
InChI:
InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,7,9H,4,6H2,1-3H3/t9-/m1/s1
InChI Key:
ZVZRJSHOOULAGB-SECBINFHSA-N
SMILES:
O=C[C@@H]1C(=CCCC1(C)C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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