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Home > Aldehydes > 1887197-42-3
1887197-42-3 | Hydrazinecarboxaldehyde, 2-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-, ethanedioate (1:1)
CAS No: 1887197-42-3 Catalog No: AG002H6Y MDL No:
Product Description
Catalog Number:
AG002H6Y
Chemical Name:
Hydrazinecarboxaldehyde, 2-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-, ethanedioate (1:1)
CAS Number:
1887197-42-3
Molecular Formula:
C15H22N2O6
Molecular Weight:
326.3450
IUPAC Name:
oxalic acid;N-[[(2S,3S)-2-phenylmethoxypentan-3-yl]amino]formamide
InChI:
InChI=1S/C13H20N2O2.C2H2O4/c1-3-13(15-14-10-16)11(2)17-9-12-7-5-4-6-8-12;3-1(4)2(5)6/h4-8,10-11,13,15H,3,9H2,1-2H3,(H,14,16);(H,3,4)(H,5,6)/t11-,13-;/m0./s1
InChI Key:
NHBNQZOZYCCDJW-JZKFLRDJSA-N
SMILES:
OC(=O)C(=O)O.CC[C@@H]([C@@H](OCc1ccccc1)C)NNC=O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
326.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
326.349g/mol
Monoisotopic Mass:
326.148g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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