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305809-16-9 | 1H-Pyrrole-2-carboxylic acid, 4-[(2,2-dimethyl-1-oxopropyl)amino]-
CAS No: 305809-16-9 Catalog No: AG0030LO MDL No:
Product Description
Catalog Number:
AG0030LO
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-[(2,2-dimethyl-1-oxopropyl)amino]-
CAS Number:
305809-16-9
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
IUPAC Name:
4-(2,2-dimethylpropanoylamino)-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C10H14N2O3/c1-10(2,3)9(15)12-6-4-7(8(13)14)11-5-6/h4-5,11H,1-3H3,(H,12,15)(H,13,14)
InChI Key:
XUBMKTMJWBCOJN-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1c[nH]c(c1)C(=O)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.233g/mol
Monoisotopic Mass:
210.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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