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Home > Other Heterocycles > 78229-45-5
78229-45-5 | 1-Oxaspiro[4.5]dec-3-en-2-one, 3,4-dihydroxy-
CAS No: 78229-45-5 Catalog No: AG005CHG MDL No:
Product Description
Catalog Number:
AG005CHG
Chemical Name:
1-Oxaspiro[4.5]dec-3-en-2-one, 3,4-dihydroxy-
CAS Number:
78229-45-5
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
3,4-dihydroxy-1-oxaspiro[4.5]dec-3-en-2-one
InChI:
InChI=1S/C9H12O4/c10-6-7(11)9(13-8(6)12)4-2-1-3-5-9/h10-11H,1-5H2
InChI Key:
YWQFLGJQENCQAX-UHFFFAOYSA-N
SMILES:
O=C1OC2(C(=C1O)O)CCCCC2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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