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88744-60-9 | Benzenemethanol, 2,4,6-trimethyl-, 2-aminobenzoate
CAS No: 88744-60-9 Catalog No: AG004F5Q MDL No:
Product Description
Catalog Number:
AG004F5Q
Chemical Name:
Benzenemethanol, 2,4,6-trimethyl-, 2-aminobenzoate
CAS Number:
88744-60-9
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
IUPAC Name:
2-aminobenzoic acid;(2,4,6-trimethylphenyl)methanol
InChI:
InChI=1S/C10H14O.C7H7NO2/c1-7-4-8(2)10(6-11)9(3)5-7;8-6-4-2-1-3-5(6)7(9)10/h4-5,11H,6H2,1-3H3;1-4H,8H2,(H,9,10)
InChI Key:
UYAJPMZNDKAUAE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1N.OCc1c(C)cc(cc1C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.359g/mol
Monoisotopic Mass:
287.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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