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144090-96-0 | 2-Propen-1-ol, 3-cyclopentyl-, acetate, (E)- (9CI)
CAS No: 144090-96-0 Catalog No: AG001IWI MDL No:
Product Description
Catalog Number:
AG001IWI
Chemical Name:
2-Propen-1-ol, 3-cyclopentyl-, acetate, (E)- (9CI)
CAS Number:
144090-96-0
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
acetic acid;3-cyclopentylprop-2-en-1-ol
InChI:
InChI=1S/C8H14O.C2H4O2/c9-7-3-6-8-4-1-2-5-8;1-2(3)4/h3,6,8-9H,1-2,4-5,7H2;1H3,(H,3,4)
InChI Key:
VEZVRPKGYMDJME-UHFFFAOYSA-N
SMILES:
CC(=O)OC/C=C/C1CCCC1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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