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68039-48-5 | 3,5-dimethylcyclohex-3-ene-1-carbaldehyde
CAS No: 68039-48-5 Catalog No: AG01BD72 MDL No:MFCD00083567
Product Description
Catalog Number:
AG01BD72
Chemical Name:
3,5-dimethylcyclohex-3-ene-1-carbaldehyde
CAS Number:
68039-48-5
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
MDL Number:
MFCD00083567
IUPAC Name:
3,5-dimethylcyclohex-3-ene-1-carbaldehyde
InChI:
InChI=1S/C9H14O/c1-7-3-8(2)5-9(4-7)6-10/h3,6-7,9H,4-5H2,1-2H3
InChI Key:
ZHDQGHCZWWDMRS-UHFFFAOYSA-N
SMILES:
O=CC1CC(C)C=C(C1)C
EC Number:
268-263-6
NSC Number:
48084
Properties
Complexity:
158
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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