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95596-41-1 | 2-Thiazolecarboxaldehyde, 3-heptyl-2,3-dihydro-4-methyl-
CAS No: 95596-41-1 Catalog No: AG005ZPM MDL No:
Product Description
Catalog Number:
AG005ZPM
Chemical Name:
2-Thiazolecarboxaldehyde, 3-heptyl-2,3-dihydro-4-methyl-
CAS Number:
95596-41-1
Molecular Formula:
C12H21NOS
Molecular Weight:
227.3662
IUPAC Name:
3-heptyl-4-methyl-2H-1,3-thiazole-2-carbaldehyde
InChI:
InChI=1S/C12H21NOS/c1-3-4-5-6-7-8-13-11(2)10-15-12(13)9-14/h9-10,12H,3-8H2,1-2H3
InChI Key:
SILHUORQVFJFEL-UHFFFAOYSA-N
SMILES:
CCCCCCCN1C(C=O)SC=C1C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.134g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.366g/mol
Monoisotopic Mass:
227.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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