4-Phthalimidobenzoic Acid 97%

CAT: 0286-P18089-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0286-P18089-01Size:1 g

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CAS Number

5383-82-4

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00023052

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.

Precautions

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

4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoic acid

CAS Number	5383-82-4
PubChem CID	246499
IUPAC Name	4-(1,3-dioxoisoindol-2-yl)benzoic acid
Molecular Formula	C15H9NO4
Molecular Weight	267.24
XLogP	1.9
Topological Polar Surface Area	74.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	415

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)

InChIKey

HBXCMGPWVGKNRS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5383-82-4

CID: 246499

Formula: C15H9NO4

MW: 267.24

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	267.24
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	267.05315777
Monoisotopic Mass	267.05315777
Topological Polar Surface Area	74.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	415
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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4-Phthalimidobenzoic Acid 97%

Chemical Information

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