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113502-55-9 | Methanone, (2,3-dihydro-1H-pyrrolizin-5-yl)phenyl-
CAS No: 113502-55-9 Catalog No: AG0008SV MDL No:
Product Description
Catalog Number:
AG0008SV
Chemical Name:
Methanone, (2,3-dihydro-1H-pyrrolizin-5-yl)phenyl-
CAS Number:
113502-55-9
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone
InChI:
InChI=1S/C14H13NO/c16-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-15(12)13/h1-3,5-6,8-9H,4,7,10H2
InChI Key:
DHUITNLXEMJSMU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2n1CCC2)c1ccccc1
UNII:
9C0MT6TTH9
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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