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78245-91-7 | Ethanol, 2-(2-propenyloxy)-, 4-aminobenzoate
CAS No: 78245-91-7 Catalog No: AG0054AV MDL No:
Product Description
Catalog Number:
AG0054AV
Chemical Name:
Ethanol, 2-(2-propenyloxy)-, 4-aminobenzoate
CAS Number:
78245-91-7
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
IUPAC Name:
4-aminobenzoic acid;2-prop-2-enoxyethanol
InChI:
InChI=1S/C7H7NO2.C5H10O2/c8-6-3-1-5(2-4-6)7(9)10;1-2-4-7-5-3-6/h1-4H,8H2,(H,9,10);2,6H,1,3-5H2
InChI Key:
ZAVRECRFIBABFI-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C(=O)O.OCCOCC=C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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