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14478-14-9 | 1-Propen-1-ol, 2-methyl-, 1-acetate
CAS No: 14478-14-9 Catalog No: AG001K65 MDL No:
Product Description
Catalog Number:
AG001K65
Chemical Name:
1-Propen-1-ol, 2-methyl-, 1-acetate
CAS Number:
14478-14-9
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
IUPAC Name:
acetic acid;2-methylprop-1-en-1-ol
InChI:
InChI=1S/C4H8O.C2H4O2/c1-4(2)3-5;1-2(3)4/h3,5H,1-2H3;1H3,(H,3,4)
InChI Key:
UWCKJKIMNPQZBQ-UHFFFAOYSA-N
SMILES:
CC(=COC(=O)C)C
Properties
Complexity:
72.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
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:
2
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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