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188999-61-3 | Benzenemethanaminium, N,N,N-triethyl-3-formyl-4-hydroxy-, chloride (1:1)
CAS No: 188999-61-3 Catalog No: AG002HO8 MDL No:
Product Description
Catalog Number:
AG002HO8
Chemical Name:
Benzenemethanaminium, N,N,N-triethyl-3-formyl-4-hydroxy-, chloride (1:1)
CAS Number:
188999-61-3
Molecular Formula:
C14H22ClNO2
Molecular Weight:
271.7830
IUPAC Name:
triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium;chloride
InChI:
InChI=1S/C14H21NO2.ClH/c1-4-15(5-2,6-3)10-12-7-8-14(17)13(9-12)11-16;/h7-9,11H,4-6,10H2,1-3H3;1H
InChI Key:
OFJUOOKSBURIPS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1O)C[N+](CC)(CC)CC.[Cl-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.134g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.785g/mol
Monoisotopic Mass:
271.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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