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88307-43-1 | 1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl-4-(1-methylethyl)-
CAS No: 88307-43-1 Catalog No: AG0048ON MDL No:
Product Description
Catalog Number:
AG0048ON
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl-4-(1-methylethyl)-
CAS Number:
88307-43-1
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
5-formyl-2-methyl-4-propan-2-yl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C10H13NO3/c1-5(2)8-7(4-12)11-6(3)9(8)10(13)14/h4-5,11H,1-3H3,(H,13,14)
InChI Key:
LMQRJIZGETZKKW-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c(c(c1C(C)C)C(=O)O)C
Properties
Complexity:
240
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:
2
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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