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88309-54-0 | Carbamic acid, 1-octenyl-, 3-methylphenyl ester
CAS No: 88309-54-0 Catalog No: AG004865 MDL No:
Product Description
Catalog Number:
AG004865
Chemical Name:
Carbamic acid, 1-octenyl-, 3-methylphenyl ester
CAS Number:
88309-54-0
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
IUPAC Name:
(3-methylphenyl) N-oct-1-enylcarbamate
InChI:
InChI=1S/C16H23NO2/c1-3-4-5-6-7-8-12-17-16(18)19-15-11-9-10-14(2)13-15/h8-13H,3-7H2,1-2H3,(H,17,18)
InChI Key:
KXXLLEGGTVQXRA-UHFFFAOYSA-N
SMILES:
CCCCCCC=CNC(=O)Oc1cccc(c1)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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