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819850-17-4 | 4-Pyrimidinepropanoic acid
CAS No: 819850-17-4 Catalog No: AG0054UK MDL No:MFCD06796207
Product Description
Catalog Number:
AG0054UK
Chemical Name:
4-Pyrimidinepropanoic acid
CAS Number:
819850-17-4
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD06796207
IUPAC Name:
3-pyrimidin-4-ylpropanoic acid
InChI:
InChI=1S/C7H8N2O2/c10-7(11)2-1-6-3-4-8-5-9-6/h3-5H,1-2H2,(H,10,11)
InChI Key:
VWNJMRNPQZKKAU-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccncn1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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