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31123-52-1 | 10H-Phenothiazine-3,7-dicarboxaldehyde, 10-methyl-
CAS No: 31123-52-1 Catalog No: AG00326T MDL No:
Product Description
Catalog Number:
AG00326T
Chemical Name:
10H-Phenothiazine-3,7-dicarboxaldehyde, 10-methyl-
CAS Number:
31123-52-1
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
IUPAC Name:
10-methylphenothiazine-3,7-dicarbaldehyde
InChI:
InChI=1S/C15H11NO2S/c1-16-12-4-2-10(8-17)6-14(12)19-15-7-11(9-18)3-5-13(15)16/h2-9H,1H3
InChI Key:
FCHUFBLISOGXHO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)Sc1c(N2C)ccc(c1)C=O
NSC Number:
620169
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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