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87567-92-8 | 1,3-Pentadien-2-ol, acetate, (E)-
CAS No: 87567-92-8 Catalog No: AG004ME6 MDL No:
Product Description
Catalog Number:
AG004ME6
Chemical Name:
1,3-Pentadien-2-ol, acetate, (E)-
CAS Number:
87567-92-8
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
acetic acid;penta-1,3-dien-2-ol
InChI:
InChI=1S/C5H8O.C2H4O2/c1-3-4-5(2)6;1-2(3)4/h3-4,6H,2H2,1H3;1H3,(H,3,4)
InChI Key:
ADLVGANUPYOISW-UHFFFAOYSA-N
SMILES:
CC(=O)O.C/C=C/C(=C)O
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/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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