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820211-66-3 | 1,2-Cyclododecanedione, 3-methoxy-, 1-oxime, (1Z)-
CAS No: 820211-66-3 Catalog No: AG005E56 MDL No:
Product Description
Catalog Number:
AG005E56
Chemical Name:
1,2-Cyclododecanedione, 3-methoxy-, 1-oxime, (1Z)-
CAS Number:
820211-66-3
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
IUPAC Name:
2-hydroxyimino-12-methoxycyclododecan-1-one
InChI:
InChI=1S/C13H23NO3/c1-17-12-10-8-6-4-2-3-5-7-9-11(14-16)13(12)15/h12,16H,2-10H2,1H3
InChI Key:
DMGCOGRSIPSAAU-UHFFFAOYSA-N
SMILES:
COC1CCCCCCCCC/C(=N/O)/C1=O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.331g/mol
Monoisotopic Mass:
241.168g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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