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18022-66-7 | 3-Cyclohexene-1-carboxaldehyde, 3,4-dimethyl-
CAS No: 18022-66-7 Catalog No: AG0021TM MDL No:MFCD00060823
Product Description
Catalog Number:
AG0021TM
Chemical Name:
3-Cyclohexene-1-carboxaldehyde, 3,4-dimethyl-
CAS Number:
18022-66-7
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
MDL Number:
MFCD00060823
IUPAC Name:
3,4-dimethylcyclohex-3-ene-1-carbaldehyde
InChI:
InChI=1S/C9H14O/c1-7-3-4-9(6-10)5-8(7)2/h6,9H,3-5H2,1-2H3
InChI Key:
NOJNKSAQZMVMFF-UHFFFAOYSA-N
SMILES:
O=CC1CCC(=C(C1)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:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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