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1006875-97-3 | Cyclopropanecarboxylic acid, 1-(6-benzothiazolyl)-
CAS No: 1006875-97-3 Catalog No: AG0002MP MDL No:MFCD19687421
Product Description
Catalog Number:
AG0002MP
Chemical Name:
Cyclopropanecarboxylic acid, 1-(6-benzothiazolyl)-
CAS Number:
1006875-97-3
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD19687421
IUPAC Name:
1-(1,3-benzothiazol-6-yl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H9NO2S/c13-10(14)11(3-4-11)7-1-2-8-9(5-7)15-6-12-8/h1-2,5-6H,3-4H2,(H,13,14)
InChI Key:
IARGEVMBPSORNS-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC1)c1ccc2c(c1)scn2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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