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M-Acetamidobenzoic acid 98%

CAT: 0286-A00695-01Size: 5 gDry Ice: NoHazardous: No
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CAS Number
587-48-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00013983
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

3-Acetamidobenzoic acid

RN given refers to parent cpd

CAS Number587-48-4
PubChem CID48847
IUPAC Name3-acetamidobenzoic acid
Molecular FormulaC9H9NO3
Molecular Weight179.17
XLogP1.3
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity215
SMILES
CC(=O)NC1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey
RGDPZMQZWZMONQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Acetamidobenzoic acid
CAS: 587-48-4
CID: 48847
Formula: C9H9NO3
MW: 179.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.17
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass179.058243149
Monoisotopic Mass179.058243149
Topological Polar Surface Area66.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity215
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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