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32002-72-5 | 2-METHYL-4-PHENYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
CAS No: 32002-72-5 Catalog No: AG00BZFK MDL No:MFCD07348569
Product Description
Catalog Number:
AG00BZFK
Chemical Name:
2-METHYL-4-PHENYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
CAS Number:
32002-72-5
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD07348569
IUPAC Name:
2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C11H9NO2S/c1-7-12-9(10(15-7)11(13)14)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChI Key:
APXSARIYDLVPAY-UHFFFAOYSA-N
SMILES:
Cc1sc(c(n1)c1ccccc1)C(=O)O
Properties
Complexity:
241
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:
2.9
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