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898272-44-1 | 3-(3
CAS No: 898272-44-1 Catalog No: AG01FO5D MDL No:
Product Description
Catalog Number:
AG01FO5D
Chemical Name:
3-(3
CAS Number:
898272-44-1
IUPAC Name:
2,3-dihydroxybutanedioic acid;3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
InChI:
InChI=1S/C8H15N3.C4H6O6/c1-7-6-8(2)11(10-7)5-3-4-9;5-1(3(7)8)2(6)4(9)10/h6H,3-5,9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
InChI Key:
PMBAATYATMAGAP-UHFFFAOYSA-N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
303.315g/mol
Monoisotopic Mass:
303.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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