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161282-57-1 | 1H-Pyrrole-1-carboxylic acid, 2-formyl-, 1,1-dimethylethyl ester
CAS No: 161282-57-1 Catalog No: AG001SAX MDL No:MFCD03086220
Product Description
Catalog Number:
AG001SAX
Chemical Name:
1H-Pyrrole-1-carboxylic acid, 2-formyl-, 1,1-dimethylethyl ester
CAS Number:
161282-57-1
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD03086220
IUPAC Name:
tert-butyl 2-formylpyrrole-1-carboxylate
InChI:
InChI=1S/C10H13NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h4-7H,1-3H3
InChI Key:
NSHLHMBABZKJHP-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1C(=O)OC(C)(C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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