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100725-72-2 | 10H-Phenoxazine-4-carboxylic acid, methyl ester
CAS No: 100725-72-2 Catalog No: AG0002QE MDL No:
Product Description
Catalog Number:
AG0002QE
Chemical Name:
10H-Phenoxazine-4-carboxylic acid, methyl ester
CAS Number:
100725-72-2
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
IUPAC Name:
methyl 10H-phenoxazine-4-carboxylate
InChI:
InChI=1S/C14H11NO3/c1-17-14(16)9-5-4-7-11-13(9)18-12-8-3-2-6-10(12)15-11/h2-8,15H,1H3
InChI Key:
GSNBESPGOAEMMT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1Oc1ccccc1N2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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