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864241-06-5 | 10H-Phenothiazine-1-carboxylic acid, 7-methoxy-
CAS No: 864241-06-5 Catalog No: AG004NLT MDL No:
Product Description
Catalog Number:
AG004NLT
Chemical Name:
10H-Phenothiazine-1-carboxylic acid, 7-methoxy-
CAS Number:
864241-06-5
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
IUPAC Name:
7-methoxy-10H-phenothiazine-1-carboxylic acid
InChI:
InChI=1S/C14H11NO3S/c1-18-8-5-6-10-12(7-8)19-11-4-2-3-9(14(16)17)13(11)15-10/h2-7,15H,1H3,(H,16,17)
InChI Key:
AYOHORBDXOSQGH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)Sc1c(N2)c(ccc1)C(=O)O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.306g/mol
Monoisotopic Mass:
273.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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