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122919-15-7 | 2-Propenoic acid, 2-methyl-, 2,4-bis(1,1-dimethylethyl)phenyl ester
CAS No: 122919-15-7 Catalog No: AG000JRM MDL No:
Product Description
Catalog Number:
AG000JRM
Chemical Name:
2-Propenoic acid, 2-methyl-, 2,4-bis(1,1-dimethylethyl)phenyl ester
CAS Number:
122919-15-7
Molecular Formula:
C18H26O2
Molecular Weight:
274.3978
IUPAC Name:
(2,4-ditert-butylphenyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C18H26O2/c1-12(2)16(19)20-15-10-9-13(17(3,4)5)11-14(15)18(6,7)8/h9-11H,1H2,2-8H3
InChI Key:
KPYGQTJIXFKOSY-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)Oc1ccc(cc1C(C)(C)C)C(C)(C)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.193g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.404g/mol
Monoisotopic Mass:
274.193g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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