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116184-13-5 | 4-Hexenoic acid, 3-methyl-6-(phenylmethoxy)-, ethyl ester, (R)- (9CI)
CAS No: 116184-13-5 Catalog No: AG000BUH MDL No:
Product Description
Catalog Number:
AG000BUH
Chemical Name:
4-Hexenoic acid, 3-methyl-6-(phenylmethoxy)-, ethyl ester, (R)- (9CI)
CAS Number:
116184-13-5
Molecular Formula:
C16H22O3
Molecular Weight:
262.3441
IUPAC Name:
ethyl 3-methyl-6-phenylmethoxyhex-4-enoate
InChI:
InChI=1S/C16H22O3/c1-3-19-16(17)12-14(2)8-7-11-18-13-15-9-5-4-6-10-15/h4-10,14H,3,11-13H2,1-2H3
InChI Key:
NVKMKLZQEANNNW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C[C@H](C=CCOCc1ccccc1)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.349g/mol
Monoisotopic Mass:
262.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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