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26415-26-9 | Propanedioic acid, 2-(3-thienylmethyl)-
CAS No: 26415-26-9 Catalog No: AG002T4W MDL No:MFCD03003280
Product Description
Catalog Number:
AG002T4W
Chemical Name:
Propanedioic acid, 2-(3-thienylmethyl)-
CAS Number:
26415-26-9
Molecular Formula:
C8H8O4S
Molecular Weight:
200.2117
MDL Number:
MFCD03003280
IUPAC Name:
2-(thiophen-3-ylmethyl)propanedioic acid
InChI:
InChI=1S/C8H8O4S/c9-7(10)6(8(11)12)3-5-1-2-13-4-5/h1-2,4,6H,3H2,(H,9,10)(H,11,12)
InChI Key:
LQVUCMGPQDQSTL-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)O)Cc1cscc1
NSC Number:
109416
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.014g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.208g/mol
Monoisotopic Mass:
200.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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