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140447-17-2 | Cyclopentanebutanoic acid, 2-(4-hydroxy-2-pentenyl)-3-oxo- (9CI)
CAS No: 140447-17-2 Catalog No: AG001CG9 MDL No:
Product Description
Catalog Number:
AG001CG9
Chemical Name:
Cyclopentanebutanoic acid, 2-(4-hydroxy-2-pentenyl)-3-oxo- (9CI)
CAS Number:
140447-17-2
Molecular Formula:
C14H22O4
Molecular Weight:
254.3221
IUPAC Name:
4-[2-(4-hydroxypent-2-enyl)-3-oxocyclopentyl]butanoic acid
InChI:
InChI=1S/C14H22O4/c1-10(15)4-2-6-12-11(8-9-13(12)16)5-3-7-14(17)18/h2,4,10-12,15H,3,5-9H2,1H3,(H,17,18)
InChI Key:
PXFGJCCEZSDTQK-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC1CCC(=O)C1CC=CC(O)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.326g/mol
Monoisotopic Mass:
254.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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