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88309-58-4 | Carbamic acid, 1-pentenyl-, 2-(1-methylethyl)phenyl ester
CAS No: 88309-58-4 Catalog No: AG004863 MDL No:
Product Description
Catalog Number:
AG004863
Chemical Name:
Carbamic acid, 1-pentenyl-, 2-(1-methylethyl)phenyl ester
CAS Number:
88309-58-4
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
(2-propan-2-ylphenyl) N-pent-1-enylcarbamate
InChI:
InChI=1S/C15H21NO2/c1-4-5-8-11-16-15(17)18-14-10-7-6-9-13(14)12(2)3/h6-12H,4-5H2,1-3H3,(H,16,17)
InChI Key:
VMFIDQQHQPRBHK-UHFFFAOYSA-N
SMILES:
CCCC=CNC(=O)Oc1ccccc1C(C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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