4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-4-OXOBUTANOIC ACID
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4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-4-OXOBUTANOIC ACID
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CAS No:
175136-33-1
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Formula:
C13H14O5
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Chemical Name:
4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-4-OXOBUTANOIC ACID
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Synonyms:
4-(2H,3H,4H-benzo[b]1,4-dioxepin-7-yl)-4-oxobutanoic acid;
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CAS No:
4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-4-OXOBUTANOIC ACID Basic Attributes
250.24700
250.08412354
DTXSID90379636
2932999099
Characteristics
72.83000
1.89540
1.281g/cm3
149ºC
482.3ºC at 760mmHg
188ºC
1.553
4.09E-10mmHg at 25°C
Computed Properties
Molecular Weight:250.25
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:250.08412354
Monoisotopic Mass:250.08412354
Topological Polar Surface Area:72.8
Heavy Atom Count:18
Complexity:315
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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