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122308-25-2 | Propanedioic acid, 2-(2-thienylmethyl)-, 1,3-dimethyl ester
CAS No: 122308-25-2 Catalog No: AG001735 MDL No:MFCD09757558
Product Description
Catalog Number:
AG001735
Chemical Name:
Propanedioic acid, 2-(2-thienylmethyl)-, 1,3-dimethyl ester
CAS Number:
122308-25-2
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD09757558
IUPAC Name:
dimethyl 2-(thiophen-2-ylmethyl)propanedioate
InChI:
InChI=1S/C10H12O4S/c1-13-9(11)8(10(12)14-2)6-7-4-3-5-15-7/h3-5,8H,6H2,1-2H3
InChI Key:
PIIHAJHYNTWOAF-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)Cc1cccs1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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