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1429900-97-9 | 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)pentanoic acid
CAS No: 1429900-97-9 Catalog No: AG01BFDQ MDL No:MFCD24038566
Product Description
Catalog Number:
AG01BFDQ
Chemical Name:
2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)pentanoic acid
CAS Number:
1429900-97-9
MDL Number:
MFCD24038566
IUPAC Name:
2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid
InChI:
InChI=1S/C12H13NO3S/c1-2-5-9(12(15)16)13-11(14)8-6-3-4-7-10(8)17-13/h3-4,6-7,9H,2,5H2,1H3,(H,15,16)
InChI Key:
URTAPAHJDDXJFQ-UHFFFAOYSA-N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.3g/mol
Monoisotopic Mass:
251.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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