5-Benzoylpentanoic acid - CAS 4144-62-1
Catalog: |
BB024885 |
Product Name: |
5-Benzoylpentanoic acid |
CAS: |
4144-62-1 |
Synonyms: |
6-oxo-6-phenylhexanoic acid |
IUPAC Name: | 6-oxo-6-phenylhexanoic acid |
Description: | 5-Benzoylpentanoic acid (CAS# 4144-62-1) is a useful research chemical. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)CCCCC(=O)O |
InChI: | InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15) |
InChI Key: | AIEMSTCGCMIJTI-UHFFFAOYSA-N |
Boiling Point: | 385.3 ℃ at 760 mmHg |
Purity: | 98.0% |
Density: | 1.135 g/cm3 |
Appearance: | White to yellow solid |
MDL: | MFCD00014380 |
LogP: | 2.51430 |
GHS Hazard Statement: | H315 (11.63%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127621-A2 | Compositions and methods for oocyte-specific contraception | 20191219 |
WO-2021113697-A1 | Anti-avb6 antibodies and antibody-drug conjugates | 20191205 |
CA-3100617-A1 | Affinity illudofulvene conjugates | 20191125 |
US-2021155583-A1 | Affinity illudofulvene conjugates | 20191125 |
EP-3812008-A1 | Amh-competitive antagonist antibody | 20191023 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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