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100596-02-9 | 2-Propen-1-one, 2-(aminomethyl)-1-phenyl-
CAS No: 100596-02-9 Catalog No: AG0002F7 MDL No:
Product Description
Catalog Number:
AG0002F7
Chemical Name:
2-Propen-1-one, 2-(aminomethyl)-1-phenyl-
CAS Number:
100596-02-9
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
IUPAC Name:
2-(aminomethyl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C10H11NO/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6H,1,7,11H2
InChI Key:
KKSACZBJTWWBGF-UHFFFAOYSA-N
SMILES:
NCC(=C)C(=O)c1ccccc1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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