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1185295-33-3 | 4,N-*3*,N-*3*-Trimethyl-benzene-1
CAS No: 1185295-33-3 Catalog No: AG01FO4N MDL No:
Product Description
Catalog Number:
AG01FO4N
Chemical Name:
4,N-*3*,N-*3*-Trimethyl-benzene-1
CAS Number:
1185295-33-3
IUPAC Name:
oxalic acid;3-N,3-N,4-trimethylbenzene-1,3-diamine
InChI:
InChI=1S/C9H14N2.2C2H2O4/c1-7-4-5-8(10)6-9(7)11(2)3;2*3-1(4)2(5)6/h4-6H,10H2,1-3H3;2*(H,3,4)(H,5,6)
InChI Key:
MBSBONAGYCFBOJ-UHFFFAOYSA-N
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
330.293g/mol
Monoisotopic Mass:
330.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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