200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1538756-80-7
1538756-80-7 | 4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazole-2-carboxylic acid
CAS No: 1538756-80-7 Catalog No: AG01C275 MDL No:MFCD23785349
Product Description
Catalog Number:
AG01C275
Chemical Name:
4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazole-2-carboxylic acid
CAS Number:
1538756-80-7
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD23785349
IUPAC Name:
4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole-2-carboxylic acid
InChI:
InChI=1S/C9H11NO2S/c1-9(2)4-3-5-6(9)10-7(13-5)8(11)12/h3-4H2,1-2H3,(H,11,12)
InChI Key:
IYIGEKREJSBKLA-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(n1)C(CC2)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.