β-Resorcylic aldehyde oxime

CAT: 0926-FR69945-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-FR69945-01Size:500 mg

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CAS Number

5399-68-8

Synonyms

2,4-Dihydroxybenzaldehyde oxime

MDL Number

MFCD00016410

Smiles

C1=CC (=C (C=C1O) O) /C=N/O

Molecular Formula

C7H7NO3

Molecular Weight

153.14 g/mol

Controlled

Chemical Information

2,4-Dihydroxybenzaldehyde oxime

CAS Number	5399-68-8
PubChem CID	135408746
IUPAC Name	4-[(E)-hydroxyiminomethyl]benzene-1,3-diol
Molecular Formula	C7H7NO3
Molecular Weight	153.14
XLogP	0.9
Topological Polar Surface Area	73.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

C1=CC(=C(C=C1O)O)/C=N/O

InChI

InChI=1S/C7H7NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-4,9-11H/b8-4+

InChIKey

YIAZXUFZAYNWTP-XBXARRHUSA-N

Chemical Structure

2D Structure

CAS: 5399-68-8

CID: 135408746

Formula: C7H7NO3

MW: 153.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.14
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	153.042593085
Monoisotopic Mass	153.042593085
Topological Polar Surface Area	73.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-N9477	Betulinic aldehyde oxime
sc-233884	Anti-Pyruvic aldehyde 1-oxime
MBS5796462	beta-Resorcylic acid dimethyl ether
T131526-01	Beta-Resorcylic acid, Ethyl ester
AR-A05772-01	Aflatoxin B1-oxime (AFB1-oxime)
AR-A05770-01	Aflatoxin M1-oxime (AFM1-oxime)
M015-10MG	Milbemycin oxime
HY-118793-01	Inosine oxime
T19757	Oxamyl oxime
282089-01	Methomyl oxime