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27819-06-3 | 3-Buten-1-ol, 1-propanoate
CAS No: 27819-06-3 Catalog No: AG002UU9 MDL No:
Product Description
Catalog Number:
AG002UU9
Chemical Name:
3-Buten-1-ol, 1-propanoate
CAS Number:
27819-06-3
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
but-3-en-1-ol;propanoic acid
InChI:
InChI=1S/C4H8O.C3H6O2/c1-2-3-4-5;1-2-3(4)5/h2,5H,1,3-4H2;2H2,1H3,(H,4,5)
InChI Key:
GLOSZEARSVYHEX-UHFFFAOYSA-N
SMILES:
CCC(=O)OCCC=C
Properties
Complexity:
65
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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