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114416-60-3 | Oxacyclododecan-2-one, 12-[1-(methoxyimino)heptyl]-
CAS No: 114416-60-3 Catalog No: AG000BAE MDL No:
Product Description
Catalog Number:
AG000BAE
Chemical Name:
Oxacyclododecan-2-one, 12-[1-(methoxyimino)heptyl]-
CAS Number:
114416-60-3
Molecular Formula:
C19H35NO3
Molecular Weight:
325.4861
IUPAC Name:
12-(C-hexyl-N-methoxycarbonimidoyl)-oxacyclododecan-2-one
InChI:
InChI=1S/C19H35NO3/c1-3-4-5-11-14-17(20-22-2)18-15-12-9-7-6-8-10-13-16-19(21)23-18/h18H,3-16H2,1-2H3
InChI Key:
TYSUOYWXGBJLKP-UHFFFAOYSA-N
SMILES:
CCCCCCC(=NOC)C1CCCCCCCCCC(=O)O1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.262g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.493g/mol
Monoisotopic Mass:
325.262g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
6.4
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