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89078-28-4 | Carbamic acid, (3,5-dimethoxyphenyl)-, 1-methyl-2-propenyl ester
CAS No: 89078-28-4 Catalog No: AG0040XN MDL No:
Product Description
Catalog Number:
AG0040XN
Chemical Name:
Carbamic acid, (3,5-dimethoxyphenyl)-, 1-methyl-2-propenyl ester
CAS Number:
89078-28-4
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
IUPAC Name:
but-3-en-2-yl N-(3,5-dimethoxyphenyl)carbamate
InChI:
InChI=1S/C13H17NO4/c1-5-9(2)18-13(15)14-10-6-11(16-3)8-12(7-10)17-4/h5-9H,1H2,2-4H3,(H,14,15)
InChI Key:
DHXFKGNLTHRQKS-UHFFFAOYSA-N
SMILES:
COc1cc(NC(=O)OC(C=C)C)cc(c1)OC
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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