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101999-70-6 | 4-Cyclotetradecen-1-one, (4E)-
CAS No: 101999-70-6 Catalog No: AG00067B MDL No:
Product Description
Catalog Number:
AG00067B
Chemical Name:
4-Cyclotetradecen-1-one, (4E)-
CAS Number:
101999-70-6
Molecular Formula:
C14H24O
Molecular Weight:
208.3398
IUPAC Name:
cyclotetradec-4-en-1-one
InChI:
InChI=1S/C14H24O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h6,8H,1-5,7,9-13H2
InChI Key:
JQGOHECAHLQJRQ-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCC/C=C/CC1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.183g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.345g/mol
Monoisotopic Mass:
208.183g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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