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15754-50-4 | 2-Propenoic acid, (1S)-1,2,2-trimethylpropyl ester
CAS No: 15754-50-4 Catalog No: AG001PIS MDL No:
Product Description
Catalog Number:
AG001PIS
Chemical Name:
2-Propenoic acid, (1S)-1,2,2-trimethylpropyl ester
CAS Number:
15754-50-4
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
[(2S)-3,3-dimethylbutan-2-yl] prop-2-enoate
InChI:
InChI=1S/C9H16O2/c1-6-8(10)11-7(2)9(3,4)5/h6-7H,1H2,2-5H3/t7-/m0/s1
InChI Key:
HJESVTJHPLATNR-ZETCQYMHSA-N
SMILES:
C=CC(=O)O[C@H](C(C)(C)C)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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