2-Phenylbutyric acid anhydride - CAS 1519-21-7
Catalog: |
BB010730 |
Product Name: |
2-Phenylbutyric acid anhydride |
CAS: |
1519-21-7 |
Synonyms: |
2-phenylbutanoyl 2-phenylbutanoate |
IUPAC Name: | 2-phenylbutanoyl 2-phenylbutanoate |
Description: | 2-Phenylbutyric acid anhydride (CAS# 1519-21-7 ) is a useful research chemical. |
Molecular Weight: | 310.39 |
Molecular Formula: | C20H22O3 |
Canonical SMILES: | CCC(C1=CC=CC=C1)C(=O)OC(=O)C(CC)C2=CC=CC=C2 |
InChI: | InChI=1S/C20H22O3/c1-3-17(15-11-7-5-8-12-15)19(21)23-20(22)18(4-2)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3 |
InChI Key: | NMVCQWBTTHDUQD-UHFFFAOYSA-N |
Boiling Point: | 420.1 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.072 g/mL at 20 ℃(lit.) |
LogP: | 4.44380 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.15689456 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.15689456 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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