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137522-15-7 | 6-Octenoic acid, 5-(benzoyloxy)-7-methyl-, ethyl ester, (S)- (9CI)
CAS No: 137522-15-7 Catalog No: AG0013GZ MDL No:
Product Description
Catalog Number:
AG0013GZ
Chemical Name:
6-Octenoic acid, 5-(benzoyloxy)-7-methyl-, ethyl ester, (S)- (9CI)
CAS Number:
137522-15-7
Molecular Formula:
C18H24O4
Molecular Weight:
304.3808
IUPAC Name:
[(4S)-8-ethoxy-2-methyl-8-oxooct-2-en-4-yl] benzoate
InChI:
InChI=1S/C18H24O4/c1-4-21-17(19)12-8-11-16(13-14(2)3)22-18(20)15-9-6-5-7-10-15/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3/t16-/m0/s1
InChI Key:
QUDQHDXPZXKUMO-INIZCTEOSA-N
SMILES:
CCOC(=O)CCC[C@H](OC(=O)c1ccccc1)C=C(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
304.167g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.386g/mol
Monoisotopic Mass:
304.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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