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3-Amino-4-Hydroxybenzaldehyde

CAT: 1299-RG-A262943-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A262943-01Size:10 mg
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CAS Number
163036-58-6
Synonyms
3-amino-4-hydroxybenzaldehyde
Molecular Formula
C7H7NO2
Molecular Weight
137.14
Product Name Synonym
3-amino-4-hydroxybenzaldehyde

Chemical Information

3-Amino-4-hydroxybenzaldehyde

3-amino-4-hydroxybenzaldehyde is a hydroxybenzaldehyde that is 4-hydroxybenzaldehyde bearing an additional amino substituent at position 3. It has a role as a bacterial metabolite. It is a hydroxybenzaldehyde and a substituted aniline.

CAS Number163036-58-6
PubChem CID11521082
IUPAC Name3-amino-4-hydroxybenzaldehyde
Molecular FormulaC7H7NO2
Molecular Weight137.14
XLogP0.6
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity127
SMILES
C1=CC(=C(C=C1C=O)N)O
InChI
InChI=1S/C7H7NO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H,8H2
InChIKey
LMGGPKYAWHDOLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-4-hydroxybenzaldehyde
CAS: 163036-58-6
CID: 11521082
Formula: C7H7NO2
MW: 137.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.14
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass137.047678466
Monoisotopic Mass137.047678466
Topological Polar Surface Area63.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
JJD28662-013-Amino-4-hydroxybenzaldehyde hydrochloride
OR80071-012-Amino-3-hydroxybenzaldehyde
FB30014-013-Bromo-4-hydroxybenzaldehyde
270237-013-Chloro-4-hydroxybenzaldehyde
TRC-B286420-1G3-Benzyloxy-4-hydroxybenzaldehyde
sc-260942A3-Fluoro-4-hydroxybenzaldehyde
OR10927044-ethyl-3-hydroxybenzaldehyde
OR74284-014- (Benzyloxy) -3-hydroxybenzaldehyde
PC911011-013- (Difluoromethoxy) -4-hydroxybenzaldehyde
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