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84114-76-1 | 1,2-Dioxetane-3-methanol,3,4,4-trimethyl-
CAS No: 84114-76-1 Catalog No: AG004PM1 MDL No:
Product Description
Catalog Number:
AG004PM1
Chemical Name:
1,2-Dioxetane-3-methanol,3,4,4-trimethyl-
CAS Number:
84114-76-1
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
(3,4,4-trimethyldioxetan-3-yl)methanol
InChI:
InChI=1S/C6H12O3/c1-5(2)6(3,4-7)9-8-5/h7H,4H2,1-3H3
InChI Key:
JQVQHBAHURDRSY-UHFFFAOYSA-N
SMILES:
OCC1(C)OOC1(C)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Photooxidation of acyclovir with thermally generated triplet excited ketones. A comparison with type I and II photosensitizers. | Chemical & pharmaceutical bulletin 20060401 |
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