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146790-55-8 | 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-4-propylidene-
CAS No: 146790-55-8 Catalog No: AG001EBN MDL No:
Product Description
Catalog Number:
AG001EBN
Chemical Name:
2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-4-propylidene-
CAS Number:
146790-55-8
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
4-propylidene-2,3-dihydropyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H11NO2/c1-2-3-6-4-7(8(10)11)9-5-6/h3,5,7H,2,4H2,1H3,(H,10,11)
InChI Key:
KTLGOFUVPVQNON-UHFFFAOYSA-N
SMILES:
CCC=C1CC(N=C1)C(=O)O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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