3-Phenylpropanoic anhydride

CAT: 0127-OR1033806-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1033806-01Size:100 mg

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CAS Number

15781-96-1

Purity

98%

Smiles

O=C(CCC1=CC=CC=C1)OC(CCC2=CC=CC=C2)=O

Chemical Information

3-Phenylpropanoic anhydride

CAS Number	15781-96-1
PubChem CID	13024780
IUPAC Name	3-phenylpropanoyl 3-phenylpropanoate
Molecular Formula	C18H18O3
Molecular Weight	282.3
XLogP	3.7
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	21
Formal Charge	0
Complexity	293

SMILES

C1=CC=C(C=C1)CCC(=O)OC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C18H18O3/c19-17(13-11-15-7-3-1-4-8-15)21-18(20)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2

InChIKey

SQAHPYZABTWPNY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15781-96-1

CID: 13024780

Formula: C18H18O3

MW: 282.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.3
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	282.125594432
Monoisotopic Mass	282.125594432
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	293
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR908094-01	3-Cyano-3-phenylpropanoic acid
OR1040489-01	3-Cyclopropyl-3-phenylpropanoic acid
OR1024850-01	3- (Formylamino) -3-Phenylpropanoic Acid
OR13352-01	3-Amino-3-phenylpropanoic acid
OR1002943	3-Oxo-3-phenylpropanoic acid
OR902414-01	3-Hydroxy-3-phenylpropanoic acid
OR73174-01	3-Cyano-2-phenylpropanoic acid
OR1039446-01	3- (4-Chlorophenyl) -3-phenylpropanoic acid
OR28222-01	2,3-dibromo-3-phenylpropanoic acid
OR96140-01	2-Bromo-3-phenylpropanoic acid

Catalog	Name
15025222-25g	2,3-Pyridinedicarboxylic anhydride (Quinolinic anhydride)
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HY-W698250	3-Ferrocenylpropionic anhydride
426450-01	3-Methylhexahydrophthalic Anhydride
426155-01	3-Isobutylglutaric Anhydride
288402-01	3-Pyridinecarboxylic Anhydride
TRC-M311555-10G	3-Methylglutaric Anhydride
TRC-C380578-2.5G	3-Chlorophthalic Anhydride
GK0653-10g	3-Nitrophthalic anhydride
abx181122-01	3-Methylphthalic anhydride