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Cyclopentanecarboxylic acid 98%

CAT: 0286-C32470-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-C32470-01Size:5 g
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CAS Number
3400-45-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00001371
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

Cyclopentanecarboxylic acid

Cyclopentanecarboxylic acid is a carboxylic acid.

CAS Number3400-45-1
PubChem CID18840
IUPAC Namecyclopentanecarboxylic acid
Molecular FormulaC6H10O2
Molecular Weight114.14
XLogP1.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity92
SMILES
C1CCC(C1)C(=O)O
InChI
InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)
InChIKey
JBDSSBMEKXHSJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclopentanecarboxylic acid
CAS: 3400-45-1
CID: 18840
Formula: C6H10O2
MW: 114.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight114.14
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass114.068079557
Monoisotopic Mass114.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity92.7
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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