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125587-35-1 | Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-methylphenyl)methyl ester, [1R-[1α,3β(E)]]- (9CI)
CAS No: 125587-35-1 Catalog No: AG000NXN MDL No:
Product Description
Catalog Number:
AG000NXN
Chemical Name:
Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-methylphenyl)methyl ester, [1R-[1α,3β(E)]]- (9CI)
CAS Number:
125587-35-1
IUPAC Name:
(3-methylphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
InChI:
InChI=1S/C19H24O4/c1-12-7-6-8-14(9-12)11-23-18(21)16-15(19(16,3)4)10-13(2)17(20)22-5/h6-10,15-16H,11H2,1-5H3/b13-10+/t15-,16+/m1/s1
InChI Key:
HATNNAFDCIDHKP-FCEHDVOZSA-N
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
316.167g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.397g/mol
Monoisotopic Mass:
316.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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