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100911-27-1 | 1H-Pyrrole-2-carboxylic acid, 2,5-dihydro-4-(1-methylethyl)-
CAS No: 100911-27-1 Catalog No: AG00036Z MDL No:
Product Description
Catalog Number:
AG00036Z
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 2,5-dihydro-4-(1-methylethyl)-
CAS Number:
100911-27-1
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
4-propan-2-yl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H13NO2/c1-5(2)6-3-7(8(10)11)9-4-6/h3,5,7,9H,4H2,1-2H3,(H,10,11)
InChI Key:
CBFZHQJMKZUATH-UHFFFAOYSA-N
SMILES:
CC(C1=CC(NC1)C(=O)O)C
Properties
Complexity:
196
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:
2
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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