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139257-80-0 | L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-[2-(3-thienyl)ethyl]-
CAS No: 139257-80-0 Catalog No: AG001AKP MDL No:
Product Description
Catalog Number:
AG001AKP
Chemical Name:
L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-[2-(3-thienyl)ethyl]-
CAS Number:
139257-80-0
Molecular Formula:
C14H21NO5S
Molecular Weight:
315.3852
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-thiophen-3-ylethoxy)propanoic acid
InChI:
InChI=1S/C14H21NO5S/c1-14(2,3)20-13(18)15-11(12(16)17)8-19-6-4-10-5-7-21-9-10/h5,7,9,11H,4,6,8H2,1-3H3,(H,15,18)(H,16,17)
InChI Key:
ZILCSQOHFRBYPB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)COCCc1cscc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.384g/mol
Monoisotopic Mass:
315.114g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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