3-(1,3-benzothiazol-2-yl)propanoic acid

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Catalog Number
ACM29198865
Product Name
3-(1,3-benzothiazol-2-yl)propanoic acid
Structure
Structure
CAS
29198-86-5
Category
Heterocyclic Organic Compound
Synonyms
ZINC00253409, CID4326838, BBS-00001962, 3-(1,3-benzothiazol-2-yl)propanoic acid, AF-399/14031086, 29198-86-5
IUPAC Name
3-(1,3-benzothiazol-2-yl)propanoate
Molecular Weight
206.241020 [g/mol]
Molecular Formula
N1=C(CCC(=O)O)Sc2c1cccc2
Canonical SMILES
C1=CC=C2C(=C1)N=C(S2)CCC(=O)O
InChI Key
WHNQTHDJEZTVHS-UHFFFAOYSA-M
Boiling Point
393.5ºC at 760mmHg
Flash Point
191.8ºC
Density
1.379g/cm³
Exact Mass
207.03500
H-Bond Acceptor
3
H-Bond Donor
0
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