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20644-86-4 | Titanium, oxodiphenoxy-
CAS No: 20644-86-4 Catalog No: AG002IIG MDL No:
Product Description
Catalog Number:
AG002IIG
Chemical Name:
Titanium, oxodiphenoxy-
CAS Number:
20644-86-4
Molecular Formula:
C12H10O3Ti
Molecular Weight:
250.0730
IUPAC Name:
oxotitanium;phenol
InChI:
InChI=1S/2C6H6O.O.Ti/c2*7-6-4-2-1-3-5-6;;/h2*1-5,7H;;
InChI Key:
OYPZMHKLBGINMV-UHFFFAOYSA-N
SMILES:
O=[Ti](Oc1ccccc1)Oc1ccccc1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.092g/mol
Monoisotopic Mass:
252.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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