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132178-16-6 | 1,3-Butadien-1-one, 3-methoxy-
CAS No: 132178-16-6 Catalog No: AG0010CJ MDL No:
Product Description
Catalog Number:
AG0010CJ
Chemical Name:
1,3-Butadien-1-one, 3-methoxy-
CAS Number:
132178-16-6
Molecular Formula:
C5H6O2
Molecular Weight:
98.0999
IUPAC Name:
3-methoxybuta-1,3-dien-1-one
InChI:
InChI=1S/C5H6O2/c1-5(7-2)3-4-6/h3H,1H2,2H3
InChI Key:
RKUJMSAZGRKYJH-UHFFFAOYSA-N
SMILES:
COC(=C)C=C=O
Properties
Complexity:
109
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.037g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.101g/mol
Monoisotopic Mass:
98.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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