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1289388-14-2 | 3-Azetidinecarboxylic acid, 1-(4,6-dimethyl-2-pyrimidinyl)-
CAS No: 1289388-14-2 Catalog No: AG000YOF MDL No:MFCD18837503
Product Description
Catalog Number:
AG000YOF
Chemical Name:
3-Azetidinecarboxylic acid, 1-(4,6-dimethyl-2-pyrimidinyl)-
CAS Number:
1289388-14-2
Molecular Formula:
C10H13N3O2
Molecular Weight:
207.2291
MDL Number:
MFCD18837503
IUPAC Name:
1-(4,6-dimethylpyrimidin-2-yl)azetidine-3-carboxylic acid
InChI:
InChI=1S/C10H13N3O2/c1-6-3-7(2)12-10(11-6)13-4-8(5-13)9(14)15/h3,8H,4-5H2,1-2H3,(H,14,15)
InChI Key:
SZMBJDSWVDDJHW-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C1)c1nc(C)cc(n1)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.233g/mol
Monoisotopic Mass:
207.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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