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181134-54-3 | Butanal, 3-methoxy-3-methyl-
CAS No: 181134-54-3 Catalog No: AG0022OR MDL No:MFCD12024931
Product Description
Catalog Number:
AG0022OR
Chemical Name:
Butanal, 3-methoxy-3-methyl-
CAS Number:
181134-54-3
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD12024931
IUPAC Name:
3-methoxy-3-methylbutanal
InChI:
InChI=1S/C6H12O2/c1-6(2,8-3)4-5-7/h5H,4H2,1-3H3
InChI Key:
JEERAMZIKOLMNQ-UHFFFAOYSA-N
SMILES:
COC(CC=O)(C)C
Properties
Complexity:
76.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Kinetics and products of the reaction of OH radicals with 3-methoxy-3-methyl-1-butanol. | Environmental science & technology 20110815 |
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