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Home > Aldehydes > 131965-78-1
131965-78-1 | 1,4-Piperazinedicarboxaldehyde, 2-(hydroxymethyl)-
CAS No: 131965-78-1 Catalog No: AG000ZZC MDL No:
Product Description
Catalog Number:
AG000ZZC
Chemical Name:
1,4-Piperazinedicarboxaldehyde, 2-(hydroxymethyl)-
CAS Number:
131965-78-1
Molecular Formula:
C7H12N2O3
Molecular Weight:
172.1818
IUPAC Name:
2-(hydroxymethyl)piperazine-1,4-dicarbaldehyde
InChI:
InChI=1S/C7H12N2O3/c10-4-7-3-8(5-11)1-2-9(7)6-12/h5-7,10H,1-4H2
InChI Key:
ZQVHEFVCDNCGOL-UHFFFAOYSA-N
SMILES:
O=CN1CCN(C(C1)CO)C=O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.184g/mol
Monoisotopic Mass:
172.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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