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20006-42-2 | 1,6-Cyclododecadiene
CAS No: 20006-42-2 Catalog No: AG002CIX MDL No:
Product Description
Catalog Number:
AG002CIX
Chemical Name:
1,6-Cyclododecadiene
CAS Number:
20006-42-2
Molecular Formula:
C12H20
Molecular Weight:
164.2872
IUPAC Name:
(2R)-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C18H19NO5/c20-17(21)16(13-23-11-14-7-3-1-4-8-14)19-18(22)24-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)/t16-/m1/s1
InChI Key:
CYYRLHUAMWRBHC-MRXNPFEDSA-N
SMILES:
C1CCC=CCCCC=CCC1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
329.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.352g/mol
Monoisotopic Mass:
329.126g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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