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7508-47-6 | 1,2-propanediol, 3-(phenyl-2-propenylamino)-
CAS No: 7508-47-6 Catalog No: AG005ECX MDL No:
Product Description
Catalog Number:
AG005ECX
Chemical Name:
1,2-propanediol, 3-(phenyl-2-propenylamino)-
CAS Number:
7508-47-6
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
3-(N-prop-2-enylanilino)propane-1,2-diol
InChI:
InChI=1S/C12H17NO2/c1-2-8-13(9-12(15)10-14)11-6-4-3-5-7-11/h2-7,12,14-15H,1,8-10H2
InChI Key:
CCZFHVFTXLVHIX-UHFFFAOYSA-N
SMILES:
C=CCN(c1ccccc1)CC(CO)O
NSC Number:
58504
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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