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10118-35-1 | Piperidine, 2-(2,2-dicyclohexylethyl)-, (2Z)-2-butenedioate (9CI)
CAS No: 10118-35-1 Catalog No: AG0003WN MDL No:
Product Description
Catalog Number:
AG0003WN
Chemical Name:
Piperidine, 2-(2,2-dicyclohexylethyl)-, (2Z)-2-butenedioate (9CI)
CAS Number:
10118-35-1
Molecular Formula:
C23H39NO4
Molecular Weight:
393.5601
IUPAC Name:
but-2-enedioic acid;2-(2,2-dicyclohexylethyl)piperidine
InChI:
InChI=1S/C19H35N.C4H4O4/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;5-3(6)1-2-4(7)8/h16-20H,1-15H2;1-2H,(H,5,6)(H,7,8)
InChI Key:
JDZOTSLZMQDFLG-UHFFFAOYSA-N
SMILES:
C1CCC(NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.288g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
393.568g/mol
Monoisotopic Mass:
393.288g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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