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Home > Other Heterocycles > 2059971-87-6
2059971-87-6 | 7-(hydroxymethyl)-6-oxaspiro[3.4]octan-2-one
CAS No: 2059971-87-6 Catalog No: AG01BRD4 MDL No:MFCD30502461
Product Description
Catalog Number:
AG01BRD4
Chemical Name:
7-(hydroxymethyl)-6-oxaspiro[3.4]octan-2-one
CAS Number:
2059971-87-6
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD30502461
IUPAC Name:
7-(hydroxymethyl)-6-oxaspiro[3.4]octan-2-one
InChI:
InChI=1S/C8H12O3/c9-4-7-3-8(5-11-7)1-6(10)2-8/h7,9H,1-5H2
InChI Key:
JXCYPUSTYGCYQD-UHFFFAOYSA-N
SMILES:
OCC1OCC2(C1)CC(=O)C2
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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