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100911-26-0 | 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-4-(1-methylethyl)-
CAS No: 100911-26-0 Catalog No: AG000370 MDL No:
Product Description
Catalog Number:
AG000370
Chemical Name:
2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-4-(1-methylethyl)-
CAS Number:
100911-26-0
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
4-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H13NO2/c1-5(2)6-3-7(8(10)11)9-4-6/h4-7H,3H2,1-2H3,(H,10,11)
InChI Key:
LTHDLIXWTXMCKI-UHFFFAOYSA-N
SMILES:
CC(C1C=NC(C1)C(=O)O)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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