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89272-69-5 | 5-Hexenoic acid, 4-methyl-6-phenyl-, methyl ester, (R)-
CAS No: 89272-69-5 Catalog No: AG00418T MDL No:
Product Description
Catalog Number:
AG00418T
Chemical Name:
5-Hexenoic acid, 4-methyl-6-phenyl-, methyl ester, (R)-
CAS Number:
89272-69-5
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
methyl 4-methyl-6-phenylhex-5-enoate
InChI:
InChI=1S/C14H18O2/c1-12(9-11-14(15)16-2)8-10-13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3
InChI Key:
DRCKTIYXUGGTQM-UHFFFAOYSA-N
SMILES:
COC(=O)CC[C@H](C=Cc1ccccc1)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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