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160239-22-5 | Acetic acid, 2-(4-penten-1-yloxy)-
CAS No: 160239-22-5 Catalog No: AG001RSB MDL No:
Product Description
Catalog Number:
AG001RSB
Chemical Name:
Acetic acid, 2-(4-penten-1-yloxy)-
CAS Number:
160239-22-5
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
2-pent-4-enoxyacetic acid
InChI:
InChI=1S/C7H12O3/c1-2-3-4-5-10-6-7(8)9/h2H,1,3-6H2,(H,8,9)
InChI Key:
ZMELTMCQODEEOK-UHFFFAOYSA-N
SMILES:
C=CCCCOCC(=O)O
Properties
Complexity:
109
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:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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