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74076-80-5 | 1-OXASPIRO[4.5]DECANE-4-CARBOXALDEHYDE
CAS No: 74076-80-5 Catalog No: AG0059LU MDL No:
Product Description
Catalog Number:
AG0059LU
Chemical Name:
1-OXASPIRO[4.5]DECANE-4-CARBOXALDEHYDE
CAS Number:
74076-80-5
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
1-oxaspiro[4.5]decane-4-carbaldehyde
InChI:
InChI=1S/C10H16O2/c11-8-9-4-7-12-10(9)5-2-1-3-6-10/h8-9H,1-7H2
InChI Key:
WLMYHZZWUYXKPW-UHFFFAOYSA-N
SMILES:
O=CC1CCOC21CCCCC2
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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