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138153-91-0 | Undecanamide, 11-mercapto-N-(phenylmethyl)-
CAS No: 138153-91-0 Catalog No: AG00182C MDL No:
Product Description
Catalog Number:
AG00182C
Chemical Name:
Undecanamide, 11-mercapto-N-(phenylmethyl)-
CAS Number:
138153-91-0
Molecular Formula:
C18H29NOS
Molecular Weight:
307.4940
IUPAC Name:
N-benzyl-11-sulfanylundecanamide
InChI:
InChI=1S/C18H29NOS/c20-18(19-16-17-12-8-7-9-13-17)14-10-5-3-1-2-4-6-11-15-21/h7-9,12-13,21H,1-6,10-11,14-16H2,(H,19,20)
InChI Key:
KQLSJYAZJJFPNI-UHFFFAOYSA-N
SMILES:
SCCCCCCCCCCC(=O)NCc1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.197g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.496g/mol
Monoisotopic Mass:
307.197g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
30.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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