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68230-59-1 | 10h-phenothiazine-3-carboxylic acid
CAS No: 68230-59-1 Catalog No: AG005LOU MDL No:
Product Description
Catalog Number:
AG005LOU
Chemical Name:
10h-phenothiazine-3-carboxylic acid
CAS Number:
68230-59-1
Molecular Formula:
C13H9NO2S
Molecular Weight:
243.2811
IUPAC Name:
10H-phenothiazine-3-carboxylic acid
InChI:
InChI=1S/C13H9NO2S/c15-13(16)8-5-6-10-12(7-8)17-11-4-2-1-3-9(11)14-10/h1-7,14H,(H,15,16)
InChI Key:
ZAZBAXPDYNCBBL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)Sc1c(N2)cccc1
NSC Number:
158946
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.28g/mol
Monoisotopic Mass:
243.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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