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857002-64-3 | 1,4-Benzenediamine,2-methoxy-3-methyl-
CAS No: 857002-64-3 Catalog No: AG004PPG MDL No:
Product Description
Catalog Number:
AG004PPG
Chemical Name:
1,4-Benzenediamine,2-methoxy-3-methyl-
CAS Number:
857002-64-3
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
IUPAC Name:
2-methoxy-3-methylbenzene-1,4-diamine
InChI:
InChI=1S/C8H12N2O/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4H,9-10H2,1-2H3
InChI Key:
LDXVZFQIUCVKAM-UHFFFAOYSA-N
SMILES:
COc1c(N)ccc(c1C)N
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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