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94806-49-2 | Propanedioic acid, (5-formyl-6H-1,3-thiazin-2-yl)methyl-, dimethyl ester
CAS No: 94806-49-2 Catalog No: AG005V49 MDL No:
Product Description
Catalog Number:
AG005V49
Chemical Name:
Propanedioic acid, (5-formyl-6H-1,3-thiazin-2-yl)methyl-, dimethyl ester
CAS Number:
94806-49-2
Molecular Formula:
C11H13NO5S
Molecular Weight:
271.2896
IUPAC Name:
dimethyl 2-[(5-formyl-6H-1,3-thiazin-2-yl)methyl]propanedioate
InChI:
InChI=1S/C11H13NO5S/c1-16-10(14)8(11(15)17-2)3-9-12-4-7(5-13)6-18-9/h4-5,8H,3,6H2,1-2H3
InChI Key:
TYNNUQICMJKVEO-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)CC1=NC=C(CS1)C=O
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.287g/mol
Monoisotopic Mass:
271.051g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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