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125951-00-0 | 2-Propenoic acid, 3-(4-methylphenyl)-, 1,1-dimethylethyl ester, (2E)-
CAS No: 125951-00-0 Catalog No: AG000QLH MDL No:
Product Description
Catalog Number:
AG000QLH
Chemical Name:
2-Propenoic acid, 3-(4-methylphenyl)-, 1,1-dimethylethyl ester, (2E)-
CAS Number:
125951-00-0
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
tert-butyl 3-(4-methylphenyl)prop-2-enoate
InChI:
InChI=1S/C14H18O2/c1-11-5-7-12(8-6-11)9-10-13(15)16-14(2,3)4/h5-10H,1-4H3
InChI Key:
KAXIRRRLKRGHRC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)/C=C/c1ccc(cc1)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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