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Home > Pyridines > 1613051-31-2
1613051-31-2 | (2E)-3-[5-(dimethylsulfamoyl)pyridin-3-yl]prop-2-enoic acid
CAS No: 1613051-31-2 Catalog No: AG01EM99 MDL No:MFCD16238929
Product Description
Catalog Number:
AG01EM99
Chemical Name:
(2E)-3-[5-(dimethylsulfamoyl)pyridin-3-yl]prop-2-enoic acid
CAS Number:
1613051-31-2
Molecular Formula:
C10H12N2O4S
Molecular Weight:
256.2783
MDL Number:
MFCD16238929
IUPAC Name:
(E)-3-[5-(dimethylsulfamoyl)pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C10H12N2O4S/c1-12(2)17(15,16)9-5-8(6-11-7-9)3-4-10(13)14/h3-7H,1-2H3,(H,13,14)/b4-3+
InChI Key:
RTXSBTMWKUJVNJ-ONEGZZNKSA-N
SMILES:
CN(S(=O)(=O)c1cncc(c1)/C=C/C(=O)O)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
256.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.276g/mol
Monoisotopic Mass:
256.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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