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189690-74-2 | Acetic acid, 2-[(2E)-2-penten-1-yloxy]-
CAS No: 189690-74-2 Catalog No: AG002DWL MDL No:
Product Description
Catalog Number:
AG002DWL
Chemical Name:
Acetic acid, 2-[(2E)-2-penten-1-yloxy]-
CAS Number:
189690-74-2
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
2-pent-2-enoxyacetic acid
InChI:
InChI=1S/C7H12O3/c1-2-3-4-5-10-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)
InChI Key:
AQTZUPUKNXTLAH-UHFFFAOYSA-N
SMILES:
CC/C=C/COCC(=O)O
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
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:
1
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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