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4-Cyclopropyloxybenzoic Acid

CAT: 0572-TRC-C989485-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C989485-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62577-90-6
Hazard Statement
Causes skin irritation.
Smiles
OC(=O)c1ccc(OC2CC2)cc1
Molecular Formula
C10 H10 O3
Molecular Weight
178.185
InChI
InChI=1S/C10H10O3/c11-10(12)7-1-3-8(4-2-7)13-9-5-6-9/h1-4,9H,5-6H2,(H,11,12)
Additionnal Information
IUPAC name: 4-cyclopropyloxybenzoic acid
Shipping Conditions
Room Temperature

Chemical Information

4-Cyclopropoxybenzoic acid
CAS Number62577-90-6
PubChem CID21452864
IUPAC Name4-cyclopropyloxybenzoic acid
Molecular FormulaC10H10O3
Molecular Weight178.18
XLogP2.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity190
SMILES
C1CC1OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C10H10O3/c11-10(12)7-1-3-8(4-2-7)13-9-5-6-9/h1-4,9H,5-6H2,(H,11,12)
InChIKey
VUANULXCHKBPDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Cyclopropoxybenzoic acid
CAS: 62577-90-6
CID: 21452864
Formula: C10H10O3
MW: 178.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.18
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass178.062994177
Monoisotopic Mass178.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity190
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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