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2-Hydroxy-4-methoxybenzenepropanoic acid

CAT: 0931-T125360-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T125360-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21144-17-2
Target
Others
Related Pathways
Others
Bioactivity
2-Hydroxy-4-methoxybenzenepropanoic acid is a useful organic compound for research related to life sciences. The catalog number is T125360 and the CAS number is 21144-17-2.
Smiles
COc1ccc(CCC(O)=O)c(O)c1
Molecular Formula
C10H12O4
Molecular Weight
196.202
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(2-Hydroxy-4-methoxyphenyl)propanoic acid
CAS Number21144-17-2
PubChem CID458162
IUPAC Name3-(2-hydroxy-4-methoxyphenyl)propanoic acid
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP1.3
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity193
SMILES
COC1=CC(=C(C=C1)CCC(=O)O)O
InChI
InChI=1S/C10H12O4/c1-14-8-4-2-7(9(11)6-8)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
InChIKey
CGWRDLSMEFSEDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Hydroxy-4-methoxyphenyl)propanoic acid
CAS: 21144-17-2
CID: 458162
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area66.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity193
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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