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30834-47-0 | Spiro[5.5]undeca-1,8-dien-3-one
CAS No: 30834-47-0 Catalog No: AG0031FP MDL No:MFCD18431789
Product Description
Catalog Number:
AG0031FP
Chemical Name:
Spiro[5.5]undeca-1,8-dien-3-one
CAS Number:
30834-47-0
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD18431789
IUPAC Name:
spiro[5.5]undeca-4,9-dien-3-one
InChI:
InChI=1S/C11H14O/c12-10-4-8-11(9-5-10)6-2-1-3-7-11/h1-2,4,8H,3,5-7,9H2
InChI Key:
WFZMDPXIOJHKJV-UHFFFAOYSA-N
SMILES:
O=C1CCC2(C=C1)CCC=CC2
NSC Number:
286672
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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