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1239460-80-0 | 7-Benzothiazoleacetic acid
CAS No: 1239460-80-0 Catalog No: AG000L99 MDL No:
Product Description
Catalog Number:
AG000L99
Chemical Name:
7-Benzothiazoleacetic acid
CAS Number:
1239460-80-0
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
IUPAC Name:
2-(1,3-benzothiazol-7-yl)acetic acid
InChI:
InChI=1S/C9H7NO2S/c11-8(12)4-6-2-1-3-7-9(6)13-5-10-7/h1-3,5H,4H2,(H,11,12)
InChI Key:
BPJCNIZFWLVXPP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc2c1scn2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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