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1223748-25-1 | 2-Propenoic acid, 3,5-bis(1,1-dimethylethyl)phenyl ester
CAS No: 1223748-25-1 Catalog No: AG00175R MDL No:MFCD15072119
Product Description
Catalog Number:
AG00175R
Chemical Name:
2-Propenoic acid, 3,5-bis(1,1-dimethylethyl)phenyl ester
CAS Number:
1223748-25-1
Molecular Formula:
C17H24O2
Molecular Weight:
260.3713
MDL Number:
MFCD15072119
IUPAC Name:
(3,5-ditert-butylphenyl) prop-2-enoate
InChI:
InChI=1S/C17H24O2/c1-8-15(18)19-14-10-12(16(2,3)4)9-13(11-14)17(5,6)7/h8-11H,1H2,2-7H3
InChI Key:
GMWRUVMAYZGSHK-UHFFFAOYSA-N
SMILES:
C=CC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.377g/mol
Monoisotopic Mass:
260.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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