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102-22-7 | Benzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CAS No: 102-22-7 Catalog No: AG00067W MDL No:MFCD00072225
Product Description
Catalog Number:
AG00067W
Chemical Name:
Benzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CAS Number:
102-22-7
Molecular Formula:
C18H24O2
Molecular Weight:
272.3820
MDL Number:
MFCD00072225
IUPAC Name:
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate
InChI:
InChI=1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+
InChI Key:
UXAIJXIHZDZMSK-FOWTUZBSSA-N
SMILES:
O=C(Cc1ccccc1)OC/C=C(/CCC=C(C)C)\C
EC Number:
203-014-7
UNII:
62A4GG7D57
NSC Number:
147477
FEMA Number:
2516
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
272.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.388g/mol
Monoisotopic Mass:
272.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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