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Home > Other Heterocycles > 848750-55-0
848750-55-0 | 1-Pentanone, 1-(2,6-dioxabicyclo[3.1.0]hex-3-en-4-yl)-4-hydroxy-
CAS No: 848750-55-0 Catalog No: AG004MLO MDL No:
Product Description
Catalog Number:
AG004MLO
Chemical Name:
1-Pentanone, 1-(2,6-dioxabicyclo[3.1.0]hex-3-en-4-yl)-4-hydroxy-
CAS Number:
848750-55-0
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
1-(2,6-dioxabicyclo[3.1.0]hex-3-en-4-yl)-4-hydroxypentan-1-one
InChI:
InChI=1S/C9H12O4/c1-5(10)2-3-7(11)6-4-12-9-8(6)13-9/h4-5,8-10H,2-3H2,1H3
InChI Key:
YNQJFIBTMYGESJ-UHFFFAOYSA-N
SMILES:
CC(CCC(=O)C1=COC2C1O2)O
Properties
Complexity:
258
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:
1
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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