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15131-89-2 | Benzeneacetaldehyde, α-[(dimethylamino)methylene]-
CAS No: 15131-89-2 Catalog No: AG001NAG MDL No:
Product Description
Catalog Number:
AG001NAG
Chemical Name:
Benzeneacetaldehyde, α-[(dimethylamino)methylene]-
CAS Number:
15131-89-2
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
(Z)-3-(dimethylamino)-2-phenylprop-2-enal
InChI:
InChI=1S/C11H13NO/c1-12(2)8-11(9-13)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8+
InChI Key:
ABQPNXRKOONAJA-DHZHZOJOSA-N
SMILES:
O=CC(=CN(C)C)c1ccccc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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