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Home > Aldehydes > 259544-87-1
259544-87-1 | 1H-Pyrrole-2-carboxaldehyde, 3,5-dimethyl-, oxime
CAS No: 259544-87-1 Catalog No: AG002R6V MDL No:MFCD00816756
Product Description
Catalog Number:
AG002R6V
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 3,5-dimethyl-, oxime
CAS Number:
259544-87-1
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD00816756
IUPAC Name:
(NE)-N-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C7H10N2O/c1-5-3-6(2)9-7(5)4-8-10/h3-4,9-10H,1-2H3/b8-4+
InChI Key:
VWOHSPQDRJTPSN-XBXARRHUSA-N
SMILES:
Cc1cc([nH]c1C=NO)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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