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Home > Other Heterocycles > 137819-32-0
137819-32-0 | 1,4-Dioxaspiro[4.5]deca-6,9-dien-8-one, 7-(hydroxymethyl)-
CAS No: 137819-32-0 Catalog No: AG0013VZ MDL No:
Product Description
Catalog Number:
AG0013VZ
Chemical Name:
1,4-Dioxaspiro[4.5]deca-6,9-dien-8-one, 7-(hydroxymethyl)-
CAS Number:
137819-32-0
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
7-(hydroxymethyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
InChI:
InChI=1S/C9H10O4/c10-6-7-5-9(2-1-8(7)11)12-3-4-13-9/h1-2,5,10H,3-4,6H2
InChI Key:
GXSDVKUGGGKKPR-UHFFFAOYSA-N
SMILES:
OCC1=CC2(OCCO2)C=CC1=O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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