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887580-70-3 | 4-Pyridineacetic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 887580-70-3 Catalog No: AG004CEC MDL No:
Product Description
Catalog Number:
AG004CEC
Chemical Name:
4-Pyridineacetic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
887580-70-3
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
2-[3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]pyridin-4-yl]acetic acid
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)10-9(13)7(4-5-14-10)6-8(15)16/h4-5H,6,13H2,1-3H3,(H,15,16)
InChI Key:
XCFCJRSFVHWONP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccnc(c1N)C(=O)OC(C)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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