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248595-09-7 | 2-Butenedioic acid, 2-[(4-hydroxyphenyl)thio]-
CAS No: 248595-09-7 Catalog No: AG002PNZ MDL No:
Product Description
Catalog Number:
AG002PNZ
Chemical Name:
2-Butenedioic acid, 2-[(4-hydroxyphenyl)thio]-
CAS Number:
248595-09-7
Molecular Formula:
C10H8O5S
Molecular Weight:
240.2325
IUPAC Name:
2-(4-hydroxyphenyl)sulfanylbut-2-enedioic acid
InChI:
InChI=1S/C10H8O5S/c11-6-1-3-7(4-2-6)16-8(10(14)15)5-9(12)13/h1-5,11H,(H,12,13)(H,14,15)
InChI Key:
LWHTZDZFUAEPCB-UHFFFAOYSA-N
SMILES:
OC(=O)C=C(C(=O)O)Sc1ccc(cc1)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.009g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
240.229g/mol
Monoisotopic Mass:
240.009g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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