N-Benzyloxycarbonyl-2,3-dihydropyrrole - CAS 68471-57-8

Catalog:	BB033556
Product Name:	N-Benzyloxycarbonyl-2,3-dihydropyrrole
CAS:	68471-57-8
Synonyms:	benzyl 2,3-dihydropyrrole-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	benzyl 2,3-dihydropyrrole-1-carboxylate
Description:	N-Benzyloxycarbonyl-2,3-dihydropyrrole (CAS# 68471-57-8) is a useful research chemical compound.
Molecular Weight:	203.24
Molecular Formula:	C12H13NO2
Canonical SMILES:	C1CN(C=C1)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-4,6-8H,5,9-10H2
InChI Key:	ZNLOEFQSAKKFGT-UHFFFAOYSA-N
LogP:	2.48050

Publication Number	Title	Priority Date
TW-202039481-A	Thienopyridine inhibitors of ripk2	20181221
US-2021177832-A1	Inhibitors of rna-guided nuclease target binding and uses thereof	20180820
CN-108440230-B	Preparation method of olefin and method for synthesizing Chondriamidea and ChondriamideC	20180416
WO-2017172763-A1	Synthesis and application of chiral substituted polyvinylpyrrolidinones	20160328
US-2020306737-A1	Synthesis and application of chiral substituted polyvinylpyrrolidinones	20160328

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P316, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.094628657
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.094628657
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1