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83803-50-3 | 3-Cyclohexene-1-carboxaldehyde,4-(4-methylpentyl)-
CAS No: 83803-50-3 Catalog No: AG008I1P MDL No:
Product Description
Catalog Number:
AG008I1P
Chemical Name:
3-Cyclohexene-1-carboxaldehyde,4-(4-methylpentyl)-
CAS Number:
83803-50-3
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
InChI:
InChI=1S/C13H22O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h6,10-11,13H,3-5,7-9H2,1-2H3
InChI Key:
QXCGZLBKYFEHDE-UHFFFAOYSA-N
SMILES:
O=CC1CCC(=CC1)CCCC(C)C
EC Number:
280-868-7
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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