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1289387-31-0 | 3-Azetidinecarboxylic acid, 1-(2-pyrimidinyl)-
CAS No: 1289387-31-0 Catalog No: AG000YMN MDL No:MFCD18837498
Product Description
Catalog Number:
AG000YMN
Chemical Name:
3-Azetidinecarboxylic acid, 1-(2-pyrimidinyl)-
CAS Number:
1289387-31-0
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
MDL Number:
MFCD18837498
IUPAC Name:
1-pyrimidin-2-ylazetidine-3-carboxylic acid
InChI:
InChI=1S/C8H9N3O2/c12-7(13)6-4-11(5-6)8-9-2-1-3-10-8/h1-3,6H,4-5H2,(H,12,13)
InChI Key:
YBERFYZGWLYPGW-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C1)c1ncccn1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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