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13380-94-4 | TRICYCLO[5.2.1.02,6]DECAN-8-ONE
CAS No: 13380-94-4 Catalog No: AG003V0Z MDL No:MFCD00168034
Product Description
Catalog Number:
AG003V0Z
Chemical Name:
TRICYCLO[5.2.1.02,6]DECAN-8-ONE
CAS Number:
13380-94-4
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
MDL Number:
MFCD00168034
IUPAC Name:
tricyclo[5.2.1.02,6]decan-8-one
InChI:
InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2
InChI Key:
OMIDXVJKZCPKEI-UHFFFAOYSA-N
SMILES:
O=C1CC2CC1C1C2CCC1
EC Number:
236-458-5
NSC Number:
77098
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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