AG00FE26

73635-75-3 | 3,4-Dihydroxy-6-nitrobenzaldehyde

AG00FE26

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CAS Number	73635-75-3
Catalog Number	AG00FE26(AGN-PC-0KZZPW)
Chemical Name	3,4-Dihydroxy-6-nitrobenzaldehyde
IUPAC Name	4,5-dihydroxy-2-nitrobenzaldehyde
InChI	InChI=1S/C7H5NO5/c9-3-4-1-6(10)7(11)2-5(4)8(12)13/h1-3,10-11H
InChI Key	SDAAKNQPCGUCNH-UHFFFAOYSA-N
MDL Number	MFCD00016645
Molecular Formula	C7H5NO5
Molecular Weight	183.1183
SMILES	O=CC1=CC(O)=C(O)C=C1[N+]([O-])=O
Synonyms	4,5-dihydroxy-2-nitrobenzaldehyde, 73635-75-3, 3,4-Dihydroxy-6-nitrobenzaldehyde, CHEMBL142876, 6-NITROPROTOCATECHUALDEHYDE, AK167191, 4,5-dihydroxy-2-nitro-benzaldehyde, AC1MWZF9, SCHEMBL5610655, CTK7H8998, SDAAKNQPCGUCNH-UHFFFAOYSA-N, 2-Nitro-4,5-dihydroxybenzaldehyde, ZX-AT010610, 4, 5-dihydroxy-2-nitrobenzaldehyde, BDBM50004048, FCH919235, MFCD00016645, OR8485, SBB061894, ZINC95100161, AKOS006228638, Benzaldehyde, 4,5-dihydroxy-2-nitro-, MCULE-4264087517, ST50953412, 3,4-dihydroxy-6-nitrobenzaldehyde, AldrichCPR, CID3782344,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.017g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	183.119g/mol
Monoisotopic Mass	183.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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