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831179-76-1 | 2-Propenoic acid, 3-(3,5-diaminophenyl)-, 2-propenyl ester, (2E)-
CAS No: 831179-76-1 Catalog No: AG0051KG MDL No:
Product Description
Catalog Number:
AG0051KG
Chemical Name:
2-Propenoic acid, 3-(3,5-diaminophenyl)-, 2-propenyl ester, (2E)-
CAS Number:
831179-76-1
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
prop-2-enyl (E)-3-(3,5-diaminophenyl)prop-2-enoate
InChI:
InChI=1S/C12H14N2O2/c1-2-5-16-12(15)4-3-9-6-10(13)8-11(14)7-9/h2-4,6-8H,1,5,13-14H2/b4-3+
InChI Key:
OXRZAUVWRHSDAB-ONEGZZNKSA-N
SMILES:
C=CCOC(=O)/C=C/c1cc(N)cc(c1)N
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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