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18352-53-9 | 2-Propenoic acid, 3-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-3-phenyl-, ethyl ester
CAS No: 18352-53-9 Catalog No: AG0027NT MDL No:
Product Description
Catalog Number:
AG0027NT
Chemical Name:
2-Propenoic acid, 3-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-3-phenyl-, ethyl ester
CAS Number:
18352-53-9
Molecular Formula:
C17H25NO8S2
Molecular Weight:
435.5123
IUPAC Name:
ethyl 3-[bis(2-methylsulfonyloxyethyl)amino]-3-phenylprop-2-enoate
InChI:
InChI=1S/C17H25NO8S2/c1-4-24-17(19)14-16(15-8-6-5-7-9-15)18(10-12-25-27(2,20)21)11-13-26-28(3,22)23/h5-9,14H,4,10-13H2,1-3H3
InChI Key:
NQBYHMVJXVJSBG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(c1ccccc1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C
Properties
Complexity:
675
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.102g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.506g/mol
Monoisotopic Mass:
435.102g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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