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100749-12-0 | 3-Cyclobutene-1,2-dione, 3,4-bis(cyclohexylamino)-
CAS No: 100749-12-0 Catalog No: AG0002S3 MDL No:MFCD00179349
Product Description
Catalog Number:
AG0002S3
Chemical Name:
3-Cyclobutene-1,2-dione, 3,4-bis(cyclohexylamino)-
CAS Number:
100749-12-0
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
MDL Number:
MFCD00179349
IUPAC Name:
3,4-bis(cyclohexylamino)cyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C16H24N2O2/c19-15-13(17-11-7-3-1-4-8-11)14(16(15)20)18-12-9-5-2-6-10-12/h11-12,17-18H,1-10H2
InChI Key:
MNDWDTRUCYOTCI-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C1=O)NC1CCCCC1)NC1CCCCC1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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