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236394-24-4 | Carbamic acid, 4-pentynyl-, phenylmethyl ester (9CI)
CAS No: 236394-24-4 Catalog No: AG002NZR MDL No:
Product Description
Catalog Number:
AG002NZR
Chemical Name:
Carbamic acid, 4-pentynyl-, phenylmethyl ester (9CI)
CAS Number:
236394-24-4
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
benzyl N-pent-4-ynylcarbamate
InChI:
InChI=1S/C13H15NO2/c1-2-3-7-10-14-13(15)16-11-12-8-5-4-6-9-12/h1,4-6,8-9H,3,7,10-11H2,(H,14,15)
InChI Key:
DHYAMNUUKAEXKE-UHFFFAOYSA-N
SMILES:
C#CCCCNC(=O)OCc1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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