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115401-40-6 | 1-Cyclopentene-1-carboxylic acid, 5-hydroxy-, ethyl ester
CAS No: 115401-40-6 Catalog No: AG000FY9 MDL No:MFCD07776696
Product Description
Catalog Number:
AG000FY9
Chemical Name:
1-Cyclopentene-1-carboxylic acid, 5-hydroxy-, ethyl ester
CAS Number:
115401-40-6
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD07776696
IUPAC Name:
ethyl 5-hydroxycyclopentene-1-carboxylate
InChI:
InChI=1S/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h4,7,9H,2-3,5H2,1H3
InChI Key:
ODFAUQJUEVMADD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CCCC1O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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