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88938-75-4 | 1,3-Dithiane-2-propanal
CAS No: 88938-75-4 Catalog No: AG0047ZU MDL No:
Product Description
Catalog Number:
AG0047ZU
Chemical Name:
1,3-Dithiane-2-propanal
CAS Number:
88938-75-4
Molecular Formula:
C7H12OS2
Molecular Weight:
176.2996
IUPAC Name:
3-(1,3-dithian-2-yl)propanal
InChI:
InChI=1S/C7H12OS2/c8-4-1-3-7-9-5-2-6-10-7/h4,7H,1-3,5-6H2
InChI Key:
HCECEPZPFBHRGB-UHFFFAOYSA-N
SMILES:
O=CCCC1SCCCS1
Properties
Complexity:
99.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.033g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.292g/mol
Monoisotopic Mass:
176.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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