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304873-98-1 | Butanedioic acid, 2-[(6-amino-3-pyridinyl)methyl]-3-methyl-
CAS No: 304873-98-1 Catalog No: AG0030BQ MDL No:
Product Description
Catalog Number:
AG0030BQ
Chemical Name:
Butanedioic acid, 2-[(6-amino-3-pyridinyl)methyl]-3-methyl-
CAS Number:
304873-98-1
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
IUPAC Name:
2-[(6-aminopyridin-3-yl)methyl]-3-methylbutanedioic acid
InChI:
InChI=1S/C11H14N2O4/c1-6(10(14)15)8(11(16)17)4-7-2-3-9(12)13-5-7/h2-3,5-6,8H,4H2,1H3,(H2,12,13)(H,14,15)(H,16,17)
InChI Key:
FINBILACHLBQQI-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(C(=O)O)C)Cc1ccc(nc1)N
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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