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78233-48-4 | 1,3-Thiazinane-2-carboxylic acid
CAS No: 78233-48-4 Catalog No: AG005CHF MDL No:
Product Description
Catalog Number:
AG005CHF
Chemical Name:
1,3-Thiazinane-2-carboxylic acid
CAS Number:
78233-48-4
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
IUPAC Name:
1,3-thiazinane-2-carboxylic acid
InChI:
InChI=1S/C5H9NO2S/c7-5(8)4-6-2-1-3-9-4/h4,6H,1-3H2,(H,7,8)
InChI Key:
IESZQYHPXVRLMD-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCCCS1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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