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65405-76-7 | (Z);-Hex-3-en-1-yl 2-aminobenzoate
CAS No: 65405-76-7 Catalog No: AG003OYL MDL No:
Product Description
Catalog Number:
AG003OYL
Chemical Name:
(Z);-Hex-3-en-1-yl 2-aminobenzoate
CAS Number:
65405-76-7
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
[(Z)-hex-3-enyl] 2-aminobenzoate
InChI:
InChI=1S/C13H17NO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9H,2,7,10,14H2,1H3/b4-3-
InChI Key:
VZWCCPAVZNSCEO-ARJAWSKDSA-N
SMILES:
CC/C=C\CCOC(=O)c1ccccc1N
EC Number:
265-744-2
UNII:
PQO7MXY1IA
FEMA Number:
3925
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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