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820236-43-9 | Cyclopentanecarboxylic acid, 2-hydroxy-3-(1-methylethyl)-, ethyl ester
CAS No: 820236-43-9 Catalog No: AG004Y8D MDL No:
Product Description
Catalog Number:
AG004Y8D
Chemical Name:
Cyclopentanecarboxylic acid, 2-hydroxy-3-(1-methylethyl)-, ethyl ester
CAS Number:
820236-43-9
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
IUPAC Name:
ethyl 2-hydroxy-3-propan-2-ylcyclopentane-1-carboxylate
InChI:
InChI=1S/C11H20O3/c1-4-14-11(13)9-6-5-8(7(2)3)10(9)12/h7-10,12H,4-6H2,1-3H3
InChI Key:
SQDISOFSMMZHOF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(C1O)C(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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