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88760-74-1 | 2-Pentenoic acid, 5-hydroxy-, ethyl ester
CAS No: 88760-74-1 Catalog No: AG004BI1 MDL No:
Product Description
Catalog Number:
AG004BI1
Chemical Name:
2-Pentenoic acid, 5-hydroxy-, ethyl ester
CAS Number:
88760-74-1
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
ethyl 5-hydroxypent-2-enoate
InChI:
InChI=1S/C7H12O3/c1-2-10-7(9)5-3-4-6-8/h3,5,8H,2,4,6H2,1H3
InChI Key:
RKKMALLAMABWKB-UHFFFAOYSA-N
SMILES:
OCCC=CC(=O)OCC
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:
0.5
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