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62657-87-8 | 5-Thiazolecarboxylic acid, 2-(1-methylethyl)-
CAS No: 62657-87-8 Catalog No: AG00IB28 MDL No:MFCD11208431
Product Description
Catalog Number:
AG00IB28
Chemical Name:
5-Thiazolecarboxylic acid, 2-(1-methylethyl)-
CAS Number:
62657-87-8
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD11208431
IUPAC Name:
2-propan-2-yl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C7H9NO2S/c1-4(2)6-8-3-5(11-6)7(9)10/h3-4H,1-2H3,(H,9,10)
InChI Key:
FVSORVIZXIZSNY-UHFFFAOYSA-N
SMILES:
CC(c1ncc(s1)C(=O)O)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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