Cu(II) protoporphyrin IX

Catalog Number	ACM14494372-1
CAS	14494-37-2
Synonyms	3-[(1Z,4Z,10Z,14Z)-18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8
Molecular Weight	624.19
Molecular Formula	C34H32CuN4O4
Canonical SMILES	CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.[Cu+2]
InChI	InChI=1S/C34H34N4O4.Cu/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2
InChI Key	ASFPSNQTLAUXFI-UHFFFAOYSA-L
Melting Point	>300 ℃
Purity	95%
Complexity	1580
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	623.171953
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Monoisotopic Mass	623.171953
Rotatable Bond Count	8
Topological Polar Surface Area	101 Ų