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208036-26-4 | 2-Propenoic acid, 3-(4-formylphenyl)-, 1,1-dimethylethyl ester, (2E)-
CAS No: 208036-26-4 Catalog No: AG002JG6 MDL No:
Product Description
Catalog Number:
AG002JG6
Chemical Name:
2-Propenoic acid, 3-(4-formylphenyl)-, 1,1-dimethylethyl ester, (2E)-
CAS Number:
208036-26-4
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
tert-butyl 3-(4-formylphenyl)prop-2-enoate
InChI:
InChI=1S/C14H16O3/c1-14(2,3)17-13(16)9-8-11-4-6-12(10-15)7-5-11/h4-10H,1-3H3
InChI Key:
OFMQCKGSKVARCL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)/C=C/C(=O)OC(C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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