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88357-17-9 | Benzaldehyde, 4-(heptylthio)-
CAS No: 88357-17-9 Catalog No: AG0045OM MDL No:
Product Description
Catalog Number:
AG0045OM
Chemical Name:
Benzaldehyde, 4-(heptylthio)-
CAS Number:
88357-17-9
Molecular Formula:
C14H20OS
Molecular Weight:
236.3730
IUPAC Name:
4-heptylsulfanylbenzaldehyde
InChI:
InChI=1S/C14H20OS/c1-2-3-4-5-6-11-16-14-9-7-13(12-15)8-10-14/h7-10,12H,2-6,11H2,1H3
InChI Key:
ORGFCUHAVYPHTJ-UHFFFAOYSA-N
SMILES:
CCCCCCCSc1ccc(cc1)C=O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.123g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.373g/mol
Monoisotopic Mass:
236.123g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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