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40702-26-9 | 1,3,4-Trimethylcyclohex-3-enecarbaldehyde
CAS No: 40702-26-9 Catalog No: AG003DG0 MDL No:MFCD00060824
Product Description
Catalog Number:
AG003DG0
Chemical Name:
1,3,4-Trimethylcyclohex-3-enecarbaldehyde
CAS Number:
40702-26-9
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
MDL Number:
MFCD00060824
IUPAC Name:
1,3,4-trimethylcyclohex-3-ene-1-carbaldehyde
InChI:
InChI=1S/C10H16O/c1-8-4-5-10(3,7-11)6-9(8)2/h7H,4-6H2,1-3H3
InChI Key:
HPPUQZZCHCEJEW-UHFFFAOYSA-N
SMILES:
O=CC1(C)CCC(=C(C1)C)C
Properties
Complexity:
203
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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