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411208-03-2 | 2,2-Dimethyl-1-(1H-pyrrol-1-yl);propan-1-one
CAS No: 411208-03-2 Catalog No: AG003FB6 MDL No:MFCD12756449
Product Description
Catalog Number:
AG003FB6
Chemical Name:
2,2-Dimethyl-1-(1H-pyrrol-1-yl);propan-1-one
CAS Number:
411208-03-2
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD12756449
IUPAC Name:
2,2-dimethyl-1-pyrrol-1-ylpropan-1-one
InChI:
InChI=1S/C9H13NO/c1-9(2,3)8(11)10-6-4-5-7-10/h4-7H,1-3H3
InChI Key:
NBCLWNCJSKCWIK-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)n1cccc1
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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