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88744-62-1 | Benzenemethanol, 2,4,6-trimethyl-, 4-aminobenzoate, hydrochloride
CAS No: 88744-62-1 Catalog No: AG004DK4 MDL No:
Product Description
Catalog Number:
AG004DK4
Chemical Name:
Benzenemethanol, 2,4,6-trimethyl-, 4-aminobenzoate, hydrochloride
CAS Number:
88744-62-1
Molecular Formula:
C17H22ClNO3
Molecular Weight:
323.8145
IUPAC Name:
4-aminobenzoic acid;(2,4,6-trimethylphenyl)methanol;hydrochloride
InChI:
InChI=1S/C10H14O.C7H7NO2.ClH/c1-7-4-8(2)10(6-11)9(3)5-7;8-6-3-1-5(2-4-6)7(9)10;/h4-5,11H,6H2,1-3H3;1-4H,8H2,(H,9,10);1H
InChI Key:
PLMYVTIMXIYMFR-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C(=O)O.OCc1c(C)cc(cc1C)C.Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.129g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
323.817g/mol
Monoisotopic Mass:
323.129g/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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