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Home > Aldehydes > 138039-74-4
138039-74-4 | 3-Cyclohexene-1-acetaldehyde, 4,6,6-trimethyl-, (1S)-
CAS No: 138039-74-4 Catalog No: AG0017VV MDL No:
Product Description
Catalog Number:
AG0017VV
Chemical Name:
3-Cyclohexene-1-acetaldehyde, 4,6,6-trimethyl-, (1S)-
CAS Number:
138039-74-4
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
2-[(1S)-4,6,6-trimethylcyclohex-3-en-1-yl]acetaldehyde
InChI:
InChI=1S/C11H18O/c1-9-4-5-10(6-7-12)11(2,3)8-9/h4,7,10H,5-6,8H2,1-3H3/t10-/m0/s1
InChI Key:
NWDMCIXTDCIBAQ-JTQLQIEISA-N
SMILES:
O=CC[C@@H]1CC=C(CC1(C)C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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