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871243-08-2 | 10H-Phenothiazine-1-carboxylic acid, 7-methyl-
CAS No: 871243-08-2 Catalog No: AG004TVY MDL No:
Product Description
Catalog Number:
AG004TVY
Chemical Name:
10H-Phenothiazine-1-carboxylic acid, 7-methyl-
CAS Number:
871243-08-2
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
7-methyl-10H-phenothiazine-1-carboxylic acid
InChI:
InChI=1S/C14H11NO2S/c1-8-5-6-10-12(7-8)18-11-4-2-3-9(14(16)17)13(11)15-10/h2-7,15H,1H3,(H,16,17)
InChI Key:
HYDMYARUNBUIFQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)Sc1c(N2)c(ccc1)C(=O)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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