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115809-84-2 | Benzoic acid, 3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-, ethyl ester
CAS No: 115809-84-2 Catalog No: AG000GW3 MDL No:
Product Description
Catalog Number:
AG000GW3
Chemical Name:
Benzoic acid, 3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-, ethyl ester
CAS Number:
115809-84-2
Molecular Formula:
C20H26O4
Molecular Weight:
330.4180
IUPAC Name:
ethyl 3-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]oxymethyl]benzoate
InChI:
InChI=1S/C20H26O4/c1-6-23-18(21)15-9-7-8-14(11-15)12-24-19(22)17-16(10-13(2)3)20(17,4)5/h7-11,16-17H,6,12H2,1-5H3/t16-,17+/m1/s1
InChI Key:
ORDHLOWPQKUSIH-SJORKVTESA-N
SMILES:
CCOC(=O)c1cccc(c1)COC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
330.183g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.424g/mol
Monoisotopic Mass:
330.183g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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