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119225-23-9 | Ethanesulfonic acid, 2-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 119225-23-9 Catalog No: AG000IEQ MDL No:MFCD04114348
Product Description
Catalog Number:
AG000IEQ
Chemical Name:
Ethanesulfonic acid, 2-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
119225-23-9
Molecular Formula:
C10H13NO5S
Molecular Weight:
259.2789
MDL Number:
MFCD04114348
IUPAC Name:
2-(phenylmethoxycarbonylamino)ethanesulfonic acid
InChI:
InChI=1S/C10H13NO5S/c12-10(11-6-7-17(13,14)15)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)(H,13,14,15)
InChI Key:
GYGORJGOOCHDDL-UHFFFAOYSA-N
SMILES:
O=C(NCCS(=O)(=O)O)OCc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.276g/mol
Monoisotopic Mass:
259.051g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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