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99744-77-1 | 1,4-Dioxaspiro[4.5]decane-2-carboxaldehyde, (S)-
CAS No: 99744-77-1 Catalog No: AG003X1A MDL No:
Product Description
Catalog Number:
AG003X1A
Chemical Name:
1,4-Dioxaspiro[4.5]decane-2-carboxaldehyde, (S)-
CAS Number:
99744-77-1
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
1,4-dioxaspiro[4.5]decane-3-carbaldehyde
InChI:
InChI=1S/C9H14O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h6,8H,1-5,7H2
InChI Key:
FFGZPNNLXMQFMO-UHFFFAOYSA-N
SMILES:
O=C[C@@H]1COC2(O1)CCCCC2
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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