Isochroman-1-one - CAS 4702-34-5
Catalog: |
BB026200 |
Product Name: |
Isochroman-1-one |
CAS: |
4702-34-5 |
Synonyms: |
3,4-dihydro-1H-2-benzopyran-1-one; 3,4-dihydroisochromen-1-one |
IUPAC Name: | 3,4-dihydroisochromen-1-one |
Description: | Isochroman-1-one (CAS# 4702-34-5) is a useful research chemical. |
Molecular Weight: | 148.16 |
Molecular Formula: | C9H8O2 |
Canonical SMILES: | C1COC(=O)C2=CC=CC=C21 |
InChI: | InChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2 |
InChI Key: | XVTAQSGZOGYIEY-UHFFFAOYSA-N |
Boiling Point: | 320.8 °C at 760 mmHg |
Density: | 1.196 g/cm3 |
LogP: | 1.39950 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112641921-A | Cockroach polypeptide effective part for treating ulcerative colitis and preparation method and application thereof | 20201218 |
CN-111606791-A | Synthetic method of aromatic benzyl ketone | 20200608 |
EP-3871513-A1 | Oral composition with increased sweetness | 20191227 |
EP-3874967-A1 | Oral composition having increased sweetness | 20191227 |
WO-2021132467-A1 | Oral composition having increased sweetness | 20191227 |
PMID | Publication Date | Title | Journal |
23004238 | 20121017 | Studies toward the unique pederin family member psymberin: full structure elucidation, two alternative total syntheses, and analogs | Journal of the American Chemical Society |
22941477 | 20120801 | Antiviral activity of Aloe hijazensis against some haemagglutinating viruses infection and its phytoconstituents | Archives of pharmacal research |
22793256 | 20120725 | Synthesis of (R)-mellein by a partially reducing iterative polyketide synthase | Journal of the American Chemical Society |
22696300 | 20120716 | Total synthesis of a noricumazole\u2005A library and evaluation of HCV inhibition | Chemistry (Weinheim an der Bergstrasse, Germany) |
22495580 | 20120514 | Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione | Organic & biomolecular chemistry |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.052429494 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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