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836-37-3 | 3,3'-(8,13-diethenyl-3,7,12,17,22-pentamethylporphyrin-2,18-diyl)dipropanoic acid
CAS No: 836-37-3 Catalog No: AG004TSJ MDL No:
Product Description
Catalog Number:
AG004TSJ
Chemical Name:
3,3'-(8,13-diethenyl-3,7,12,17,22-pentamethylporphyrin-2,18-diyl)dipropanoic acid
CAS Number:
836-37-3
Molecular Formula:
C35H38N4O4
Molecular Weight:
578.7006
IUPAC Name:
methyl (E)-2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate
InChI:
InChI=1S/C9H6N2O5/c1-15-9(12)6(5-10)4-7-2-3-8(16-7)11(13)14/h2-4H,1H3/b6-4+
InChI Key:
VTPSQKRYJMAJDL-GQCTYLIASA-N
SMILES:
C=Cc1c2=CC3=NC(=Cc4[nH]c(Cc5n(c(C=c(c1C)[nH]2)c(C=C)c5C)C)c(c4CCC(=O)O)C)C(=C3C)CCC(=O)O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
222.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.156g/mol
Monoisotopic Mass:
222.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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