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6808-72-6 | 1-allyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde
CAS No: 6808-72-6 Catalog No: AG006FZR MDL No:
Product Description
Catalog Number:
AG006FZR
Chemical Name:
1-allyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde
CAS Number:
6808-72-6
Molecular Formula:
C16H24O
Molecular Weight:
232.3612
IUPAC Name:
(4S)-11-hydroxy-10-methoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
InChI:
InChI=1S/C18H19NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3/t13-/m0/s1
InChI Key:
PNJUPRNTSWJWAX-ZDUSSCGKSA-N
SMILES:
C=CCC1(C=O)CCC(=CC1)CCC=C(C)C
EC Number:
229-883-2
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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