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19774-38-0 | 1,3-Butadiene, 1-methoxy-, (1Z)-
CAS No: 19774-38-0 Catalog No: AG002B00 MDL No:
Product Description
Catalog Number:
AG002B00
Chemical Name:
1,3-Butadiene, 1-methoxy-, (1Z)-
CAS Number:
19774-38-0
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
IUPAC Name:
1-methoxybuta-1,3-diene
InChI:
InChI=1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3
InChI Key:
KOCUMXQOUWPSLK-UHFFFAOYSA-N
SMILES:
CO/C=C\C=C
Properties
Complexity:
55
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthetic and mechanistic studies on Pd(0)-catalyzed diamination of conjugated dienes. | Journal of the American Chemical Society 20100317 |
| Diels-Alder reactions using 4,7-dioxygenated indanones as dienophiles for regioselective construction of oxygenated 2,3-dihydrobenz[f]indenone skeleton. | Beilstein journal of organic chemistry 20080101 |
| Novel Diels-Alder reaction of 4-nitro-1(2H)-isoquinolones. | Chemical & pharmaceutical bulletin 20060201 |
| Ab initio and experimental studies on the hetero-Diels-Alder and cheletropic additions of sulfur dioxide to (E)-1-methoxybutadiene: a mechanism involving three molecules of SO(2). | The Journal of organic chemistry 20020322 |
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