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129001-82-7 | 1-Azetidineacetic acid, 2-[(4-methoxyphenyl)thio]-4-oxo-, ethyl ester
CAS No: 129001-82-7 Catalog No: AG000YSB MDL No:
Product Description
Catalog Number:
AG000YSB
Chemical Name:
1-Azetidineacetic acid, 2-[(4-methoxyphenyl)thio]-4-oxo-, ethyl ester
CAS Number:
129001-82-7
Molecular Formula:
C14H17NO4S
Molecular Weight:
295.3541
IUPAC Name:
ethyl 2-[2-(4-methoxyphenyl)sulfanyl-4-oxoazetidin-1-yl]acetate
InChI:
InChI=1S/C14H17NO4S/c1-3-19-14(17)9-15-12(16)8-13(15)20-11-6-4-10(18-2)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChI Key:
BNGJTVUAUCRZEL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1C(=O)CC1Sc1ccc(cc1)OC
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.353g/mol
Monoisotopic Mass:
295.088g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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