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150767-05-8 | Carbamic acid, N-[(1S)-1-(phenylmethyl)-2-propen-1-yl]-, phenylmethyl ester
CAS No: 150767-05-8 Catalog No: AG001MU0 MDL No:
Product Description
Catalog Number:
AG001MU0
Chemical Name:
Carbamic acid, N-[(1S)-1-(phenylmethyl)-2-propen-1-yl]-, phenylmethyl ester
CAS Number:
150767-05-8
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
IUPAC Name:
benzyl N-(1-phenylbut-3-en-2-yl)carbamate
InChI:
InChI=1S/C18H19NO2/c1-2-17(13-15-9-5-3-6-10-15)19-18(20)21-14-16-11-7-4-8-12-16/h2-12,17H,1,13-14H2,(H,19,20)
InChI Key:
GUBRGOFJDRRFAS-UHFFFAOYSA-N
SMILES:
C=C[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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