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89111-15-9 | 2-Thiabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylic acid, 7-methyl-
CAS No: 89111-15-9 Catalog No: AG003YFM MDL No:MFCD24653389
Product Description
Catalog Number:
AG003YFM
Chemical Name:
2-Thiabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylic acid, 7-methyl-
CAS Number:
89111-15-9
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD24653389
IUPAC Name:
7-methyl-2-thiabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylic acid
InChI:
InChI=1S/C9H10O4S/c1-9(8(12)13)5(7(10)11)4-2-3-14-6(4)9/h2-6H,1H3,(H,10,11)(H,12,13)
InChI Key:
MARCJZAHJCQMFF-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2C=CSC2C1(C)C(=O)O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.235g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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