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86769-71-3 | Benzeneacetic acid, a-2-cyclohexen-1-yl-, methyl ester
CAS No: 86769-71-3 Catalog No: AG004N3E MDL No:
Product Description
Catalog Number:
AG004N3E
Chemical Name:
Benzeneacetic acid, a-2-cyclohexen-1-yl-, methyl ester
CAS Number:
86769-71-3
Molecular Formula:
C15H18O2
Molecular Weight:
230.3022
IUPAC Name:
methyl 2-cyclohex-2-en-1-yl-2-phenylacetate
InChI:
InChI=1S/C15H18O2/c1-17-15(16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-6,8-10,13-14H,3,7,11H2,1H3
InChI Key:
AZOXEEPVCXPIBN-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccccc1)C1CCCC=C1
NSC Number:
50148
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.307g/mol
Monoisotopic Mass:
230.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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