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34302-69-7 | 2,9-Dimethyl-1,10-phenanthroline hemihydrate
CAS No: 34302-69-7 Catalog No: AG003G7F MDL No:MFCD23140843
Product Description
Catalog Number:
AG003G7F
Chemical Name:
2,9-Dimethyl-1,10-phenanthroline hemihydrate
CAS Number:
34302-69-7
Molecular Formula:
C27H24N4O
Molecular Weight:
420.5057
MDL Number:
MFCD23140843
IUPAC Name:
2,9-dimethyl-1,10-phenanthroline;hydrate
InChI:
InChI=1S/2C14H12N2.H2O/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h2*3-8H,1-2H3;1H2
InChI Key:
IEBXFSLFDFHSRD-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)c1ncccc1cc2.Cc1ccc2c(n1)c1nc(C)ccc1cc2.O
UNII:
2SDT9EV86W
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.211g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.543g/mol
Monoisotopic Mass:
434.211g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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