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149221-40-9 | 2-Cyclopenten-1-one, 3-[(phenylmethyl)amino]-
CAS No: 149221-40-9 Catalog No: AG001LHA MDL No:
Product Description
Catalog Number:
AG001LHA
Chemical Name:
2-Cyclopenten-1-one, 3-[(phenylmethyl)amino]-
CAS Number:
149221-40-9
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
3-(benzylamino)cyclopent-2-en-1-one
InChI:
InChI=1S/C12H13NO/c14-12-7-6-11(8-12)13-9-10-4-2-1-3-5-10/h1-5,8,13H,6-7,9H2
InChI Key:
NPBZVNCHUSDMNG-UHFFFAOYSA-N
SMILES:
O=C1CCC(=C1)NCc1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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