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730232-80-1 | Benzeneethanimidamide, a,3,4-trihydroxy-N-(1-methylethyl)-
CAS No: 730232-80-1 Catalog No: AG005CXX MDL No:
Product Description
Catalog Number:
AG005CXX
Chemical Name:
Benzeneethanimidamide, a,3,4-trihydroxy-N-(1-methylethyl)-
CAS Number:
730232-80-1
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
IUPAC Name:
2-(3,4-dihydroxyphenyl)-2-hydroxy-N'-propan-2-ylethanimidamide
InChI:
InChI=1S/C11H16N2O3/c1-6(2)13-11(12)10(16)7-3-4-8(14)9(15)5-7/h3-6,10,14-16H,1-2H3,(H2,12,13)
InChI Key:
CTJQOLHCQVFXSI-UHFFFAOYSA-N
SMILES:
CC(NC(=N)C(c1ccc(c(c1)O)O)O)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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