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1000895-46-4 | Pyrimidine, 2-(diethoxymethyl)-
CAS No: 1000895-46-4 Catalog No: AG0000VY MDL No:
Product Description
Catalog Number:
AG0000VY
Chemical Name:
Pyrimidine, 2-(diethoxymethyl)-
CAS Number:
1000895-46-4
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
2-(diethoxymethyl)pyrimidine
InChI:
InChI=1S/C9H14N2O2/c1-3-12-9(13-4-2)8-10-6-5-7-11-8/h5-7,9H,3-4H2,1-2H3
InChI Key:
TXBRTFNTEOEZPB-UHFFFAOYSA-N
SMILES:
CCOC(c1ncccn1)OCC
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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