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Home > Other Heterocycles > 1423031-01-9
1423031-01-9 | spiro[oxirane-2,8'-pentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecane]
CAS No: 1423031-01-9 Catalog No: AG019ZXT MDL No:MFCD20264554
Product Description
Catalog Number:
AG019ZXT
Chemical Name:
spiro[oxirane-2,8'-pentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecane]
CAS Number:
1423031-01-9
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD20264554
IUPAC Name:
spiro[oxirane-2,8'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]
InChI:
InChI=1S/C12H14O/c1-4-5-2-6-8(4)9-7(1)10(5)12(3-13-12)11(6)9/h4-11H,1-3H2
InChI Key:
ZYGOBDOCEWVODD-UHFFFAOYSA-N
SMILES:
C1C2C3C4C1C1C2CC3C4C21OC2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
9
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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