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88310-21-8 | Carbamic acid, 1-pentenyl-, 3-(dimethylamino)phenyl ester
CAS No: 88310-21-8 Catalog No: AG0048NX MDL No:
Product Description
Catalog Number:
AG0048NX
Chemical Name:
Carbamic acid, 1-pentenyl-, 3-(dimethylamino)phenyl ester
CAS Number:
88310-21-8
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
[3-(dimethylamino)phenyl] N-pent-1-enylcarbamate
InChI:
InChI=1S/C14H20N2O2/c1-4-5-6-10-15-14(17)18-13-9-7-8-12(11-13)16(2)3/h6-11H,4-5H2,1-3H3,(H,15,17)
InChI Key:
VBHPLUGIQBVDPX-UHFFFAOYSA-N
SMILES:
CCCC=CNC(=O)Oc1cccc(c1)N(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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