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132281-87-9 | 1H-Pyrrole-3-propanoic acid, 2-formyl-4-methyl-
CAS No: 132281-87-9 Catalog No: AG0010H7 MDL No:MFCD00030354
Product Description
Catalog Number:
AG0010H7
Chemical Name:
1H-Pyrrole-3-propanoic acid, 2-formyl-4-methyl-
CAS Number:
132281-87-9
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD00030354
IUPAC Name:
3-(2-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid
InChI:
InChI=1S/C9H11NO3/c1-6-4-10-8(5-11)7(6)2-3-9(12)13/h4-5,10H,2-3H2,1H3,(H,12,13)
InChI Key:
NUGJBBOAUVVKHE-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]cc(c1CCC(=O)O)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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