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1-Benzyl-3,4-dicarboxy-1H-pyrrole

1-Benzyl-3,4-dicarboxy-1H-pyrrole structure

CAS No:
86731-90-0
Formula:
C13H11NO4
Chemical Name:
1-Benzyl-3,4-dicarboxy-1H-pyrrole
Synonyms:
1H-Pyrrole-3,4-dicarboxylic acid, 1-(phenylmethyl)-;1-(Phenylmethyl)-1H-pyrrole-3,4-dicarboxylic acid;1-Benzyl-1H-pyrrole-3,4-dicarboxylic acid;1-Benzyl-3,4-dicarboxy-1H-pyrrole

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1-Benzyl-3,4-dicarboxy-1H-pyrrole Basic Attributes

Molecular Weight：

245.23074

Exact Mass：

245.06900

DSSTox ID：

DTXSID40514015

HScode：

2933990090

Characteristics

PSA：

79.5

XLogP3：

1.93280

Computed Properties

Molecular Weight:245.23
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:245.06880783
Monoisotopic Mass:245.06880783
Topological Polar Surface Area:79.5
Heavy Atom Count:18
Complexity:303
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Benzyl-3,4-dicarboxy-1H-pyrrole

Basic Attributes
Characteristics
Computed Properties

1-Benzyl-3,4-dicarboxy-1H-pyrrole

SDS

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