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102-51-2 | 1,2-Benzenediamine, 4-methoxy-
CAS No: 102-51-2 Catalog No: AG00068K MDL No:MFCD00047837
Product Description
Catalog Number:
AG00068K
Chemical Name:
1,2-Benzenediamine, 4-methoxy-
CAS Number:
102-51-2
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD00047837
IUPAC Name:
4-methoxybenzene-1,2-diamine
InChI:
InChI=1S/C7H10N2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
InChI Key:
AGAHETWGCFCMDK-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)N)N
Properties
Complexity:
108
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:
0.6
Literature
| Title | Journal |
|---|---|
| On benzo[b][1,4]diazepinium-olates, -thiolates and -carboxylates as anti-Hückel mesomeric betaines. | Organic & biomolecular chemistry 20031207 |
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