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6140-67-6 | cyclohept-1-ene-1-carbaldehyde
CAS No: 6140-67-6 Catalog No: AG01FNP8 MDL No:MFCD01096552
Product Description
Catalog Number:
AG01FNP8
Chemical Name:
cyclohept-1-ene-1-carbaldehyde
CAS Number:
6140-67-6
MDL Number:
MFCD01096552
IUPAC Name:
4-phenyl-11-propan-2-yl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
InChI:
InChI=1S/C18H19N3OS2/c1-11(2)20-9-8-13-14(10-20)24-16-15(13)17(22)21(18(23)19-16)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,19,23)
InChI Key:
IBBKVEABWQORAT-UHFFFAOYSA-N
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.097g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.49g/mol
Monoisotopic Mass:
357.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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