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88491-02-5 | Acetic acid, (2-cyclopenten-1-ylidene)-, 3-butenyl ester, (E)-
CAS No: 88491-02-5 Catalog No: AG0049QQ MDL No:
Product Description
Catalog Number:
AG0049QQ
Chemical Name:
Acetic acid, (2-cyclopenten-1-ylidene)-, 3-butenyl ester, (E)-
CAS Number:
88491-02-5
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
but-3-enyl 2-cyclopent-2-en-1-ylideneacetate
InChI:
InChI=1S/C11H14O2/c1-2-3-8-13-11(12)9-10-6-4-5-7-10/h2,4,6,9H,1,3,5,7-8H2
InChI Key:
CXDAADARKVLFJO-UHFFFAOYSA-N
SMILES:
C=CCCOC(=O)/C=C/1\CCC=C1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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