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128347-64-8 | Benzoic acid, 3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-, butyl ester
CAS No: 128347-64-8 Catalog No: AG000Y03 MDL No:
Product Description
Catalog Number:
AG000Y03
Chemical Name:
Benzoic acid, 3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-, butyl ester
CAS Number:
128347-64-8
Molecular Formula:
C22H30O4
Molecular Weight:
358.4712
IUPAC Name:
butyl 3-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]oxymethyl]benzoate
InChI:
InChI=1S/C22H30O4/c1-6-7-11-25-20(23)17-10-8-9-16(13-17)14-26-21(24)19-18(12-15(2)3)22(19,4)5/h8-10,12-13,18-19H,6-7,11,14H2,1-5H3/t18-,19+/m1/s1
InChI Key:
OCPFEBJMPUQLNQ-MOPGFXCFSA-N
SMILES:
CCCCOC(=O)c1cccc(c1)COC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
358.214g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.478g/mol
Monoisotopic Mass:
358.214g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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