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Home > Aldehydes > 477535-30-1
477535-30-1 | BENZALDEHYDE, 2,3,6-TRIAMINO-
CAS No: 477535-30-1 Catalog No: AG006ZE4 MDL No:
Product Description
Catalog Number:
AG006ZE4
Chemical Name:
BENZALDEHYDE, 2,3,6-TRIAMINO-
CAS Number:
477535-30-1
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
IUPAC Name:
2,3,6-triaminobenzaldehyde
InChI:
InChI=1S/C7H9N3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H,8-10H2
InChI Key:
OACZFJPPMBABTC-UHFFFAOYSA-N
SMILES:
O=Cc1c(N)ccc(c1N)N
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
151.169g/mol
Monoisotopic Mass:
151.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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