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13893-75-9 | 2-Penten-3-ol, 3-acetate
CAS No: 13893-75-9 Catalog No: AG0019VE MDL No:
Product Description
Catalog Number:
AG0019VE
Chemical Name:
2-Penten-3-ol, 3-acetate
CAS Number:
13893-75-9
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
acetic acid;pent-2-en-3-ol
InChI:
InChI=1S/C5H10O.C2H4O2/c1-3-5(6)4-2;1-2(3)4/h3,6H,4H2,1-2H3;1H3,(H,3,4)
InChI Key:
WLKNHSOLQGUSON-UHFFFAOYSA-N
SMILES:
CCC(=CC)OC(=O)C
Properties
Complexity:
86
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:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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