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82010-88-6 | Carbonic acid, compound with 1-(2-methoxyphenyl)piperazine (1:2)
CAS No: 82010-88-6 Catalog No: AG004YUK MDL No:
Product Description
Catalog Number:
AG004YUK
Chemical Name:
Carbonic acid, compound with 1-(2-methoxyphenyl)piperazine (1:2)
CAS Number:
82010-88-6
Molecular Formula:
C23H34N4O5
Molecular Weight:
446.5399
IUPAC Name:
carbonic acid;1-(2-methoxyphenyl)piperazine
InChI:
InChI=1S/2C11H16N2O.CH2O3/c2*1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;2-1(3)4/h2*2-5,12H,6-9H2,1H3;(H2,2,3,4)
InChI Key:
INQXKLUQTNOTIG-UHFFFAOYSA-N
SMILES:
OC(=O)O.COc1ccccc1N1CCNCC1.COc1ccccc1N1CCNCC1
EC Number:
279-883-1
UNII:
SS19CJ6UK9
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.253g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
446.548g/mol
Monoisotopic Mass:
446.253g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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