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100-96-9

100-96-9 | 1,3-Benzenediamine, 5-methoxy-

CAS No: 100-96-9 Catalog No: AG00007P MDL No:

Product Description

Catalog Number:
AG00007P
Chemical Name:
1,3-Benzenediamine, 5-methoxy-
CAS Number:
100-96-9
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
IUPAC Name:
5-methoxybenzene-1,3-diamine
InChI:
InChI=1S/C7H10N2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,8-9H2,1H3
InChI Key:
FLDIDKTWHOYFMG-UHFFFAOYSA-N
SMILES:
COc1cc(N)cc(c1)N

Properties

Complexity:
97.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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