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114636-70-3 | 2-Butenoic acid, 4-formylphenyl ester
CAS No: 114636-70-3 Catalog No: AG000EVS MDL No:
Product Description
Catalog Number:
AG000EVS
Chemical Name:
2-Butenoic acid, 4-formylphenyl ester
CAS Number:
114636-70-3
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
IUPAC Name:
(4-formylphenyl) but-2-enoate
InChI:
InChI=1S/C11H10O3/c1-2-3-11(13)14-10-6-4-9(8-12)5-7-10/h2-8H,1H3
InChI Key:
INZRQGVTSMNYHI-UHFFFAOYSA-N
SMILES:
CC=CC(=O)Oc1ccc(cc1)C=O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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