AG00H2UH

91804-75-0 | 1,10-Phenanthroline-5-carboxaldehyde

AG00H2UH

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CAS Number	91804-75-0
Catalog Number	AG00H2UH(AGN-PC-0JF3X6)
Chemical Name	1,10-Phenanthroline-5-carboxaldehyde
IUPAC Name	1,10-phenanthroline-5-carbaldehyde
InChI	InChI=1S/C13H8N2O/c16-8-10-7-9-3-1-5-14-12(9)13-11(10)4-2-6-15-13/h1-8H
InChI Key	YKZOGTMQUSLNBU-UHFFFAOYSA-N
MDL Number	MFCD20528237
Molecular Formula	C13H8N2O
Molecular Weight	208.2154
SMILES	O=CC1=CC2=CC=CN=C2C3=NC=CC=C13
Synonyms	1,10-Phenanthroline-5-carbaldehyde, 91804-75-0, 1,10-phenanthroline-5-carboxaldehyde, DTXSID20855751, 5491AC, ZINC85210715, CS-W004559, AK115183, AJ-126779, AX8168147, C13H8N2O,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.064g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.22g/mol
Monoisotopic Mass	208.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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