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88310-19-4 | Carbamic acid, 1-propenyl-, 3-(dimethylamino)phenyl ester
CAS No: 88310-19-4 Catalog No: AG00485J MDL No:
Product Description
Catalog Number:
AG00485J
Chemical Name:
Carbamic acid, 1-propenyl-, 3-(dimethylamino)phenyl ester
CAS Number:
88310-19-4
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
[3-(dimethylamino)phenyl] N-prop-1-enylcarbamate
InChI:
InChI=1S/C12H16N2O2/c1-4-8-13-12(15)16-11-7-5-6-10(9-11)14(2)3/h4-9H,1-3H3,(H,13,15)
InChI Key:
WJVCWGHKGNWREU-UHFFFAOYSA-N
SMILES:
CC=CNC(=O)Oc1cccc(c1)N(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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