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10271-31-5 | Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester
CAS No: 10271-31-5 Catalog No: AG000874 MDL No:
Product Description
Catalog Number:
AG000874
Chemical Name:
Propanoic acid, 3-[(triphenylmethyl)thio]-, 1,1-dimethylethyl ester
CAS Number:
10271-31-5
Molecular Formula:
C26H28O2S
Molecular Weight:
404.5643
IUPAC Name:
tert-butyl 3-tritylsulfanylpropanoate
InChI:
InChI=1S/C26H28O2S/c1-25(2,3)28-24(27)19-20-29-26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18H,19-20H2,1-3H3
InChI Key:
ZDBVFOQVCOQLKQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
NSC Number:
129846
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.181g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.568g/mol
Monoisotopic Mass:
404.181g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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