4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid

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Catalog Number
ACM175136331
Product Name
4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
Structure
Structure
CAS
175136-33-1
Category
Heterocyclic Organic Compound
Synonyms
4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid;3-[3,4-(Trimethylenedioxy)benzoyl]propionic acid
IUPAC Name
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
Molecular Weight
250.25
Molecular Formula
C13H14O5
Canonical SMILES
C1COC2=C(C=C(C=C2)C(=O)CCC(=O)O)OC1
InChI Key
RQYNFIARXFWNDM-UHFFFAOYSA-N
Boiling Point
482.3ºC at 760mmHg
Melting Point
149ºC
Flash Point
188ºC
Density
1.281g/cm³
Exact Mass
250.08400
Hazard Statements
Xi:Irritant;
H-Bond Acceptor
5
H-Bond Donor
1
Safety Description
S26-S37/39
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