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15639-51-7 | Benzoic acid, 4-[(aminoiminomethyl)amino]-, ethyl ester
CAS No: 15639-51-7 Catalog No: AG001OPS MDL No:MFCD16653182
Product Description
Catalog Number:
AG001OPS
Chemical Name:
Benzoic acid, 4-[(aminoiminomethyl)amino]-, ethyl ester
CAS Number:
15639-51-7
Molecular Formula:
C10H13N3O2
Molecular Weight:
207.2291
MDL Number:
MFCD16653182
IUPAC Name:
ethyl 4-(diaminomethylideneamino)benzoate
InChI:
InChI=1S/C10H13N3O2/c1-2-15-9(14)7-3-5-8(6-4-7)13-10(11)12/h3-6H,2H2,1H3,(H4,11,12,13)
InChI Key:
WCBGYTIRMLODMA-UHFFFAOYSA-N
SMILES:
NN=CNc1ccc(cc1)C(=O)OCC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.233g/mol
Monoisotopic Mass:
207.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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