Products for Research Use Only
RegisterLogin

Arabidopyl alcohol

CAT: 0931-T82977-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T82977-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1400234-92-5
Bioactivity
Arabidopyl alcohol, a natural compound, is derived from the bark of Betula pendula [1].
Smiles
C(O)(=O)C1=CC(/C=C/CO)=CC(=O)O1
Molecular Formula
C9H8O5
Molecular Weight
196.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arabidopyl alcohol
CAS Number1400234-92-5
PubChem CID102515513
IUPAC Name4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid
Molecular FormulaC9H8O5
Molecular Weight196.16
XLogP-0.2
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity348
SMILES
C1=C(C=C(OC1=O)C(=O)O)/C=C/CO
InChI
InChI=1S/C9H8O5/c10-3-1-2-6-4-7(9(12)13)14-8(11)5-6/h1-2,4-5,10H,3H2,(H,12,13)/b2-1+
InChIKey
JZWUYCGDMCRRTE-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of Arabidopyl alcohol
CAS: 1400234-92-5
CID: 102515513
Formula: C9H8O5
MW: 196.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.16
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass196.03717335
Monoisotopic Mass196.03717335
Topological Polar Surface Area83.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T124955-01Caffeoyl alcohol
T0807-01Tribromoethyl alcohol
T5S1550-01Cinnamyl alcohol
T3754Hydrocinnamic alcohol
T33582-01Nafimidone alcohol
TL0010-01Coniferyl alcohol
TYD-03588-01Arteannuic alcohol
TN9809-01Hydroxypivalyl alcohol
T5620-01Fenchyl Alcohol
TN3802-01Dehydrodiconiferyl alcohol

Alternative Products

CatalogName
MBS5824627Arabidopyl alcohol
3123821Alcohol
011395-01Anisic Alcohol for Synthesis (Anise Alcohol, Anisyl Alcohol) see 4-Methoxybenzyl alcohol transfer
40120080-1Acid Alcohol (1%) in 95% Alcohol
ID0278Isoamyl alcohol (Isopentyl Alcohol, 3-Methylbutanol)
40120079-2Acid Alcohol (0.5%) in 70% Alcohol
257514713,4-Dimethoxybenzyl alcohol (Veratryl alcohol)
516875Mal-Peg3-Alcohol (Mal-peg3-alcohol)
C7147-100Veratryl alcohol
40970004-2Isopropyl Alcohol

Popular Products