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87130-07-2 | Carbamic acid, (4-ethoxy-3-methoxyphenyl)-, 1-methylethyl ester
CAS No: 87130-07-2 Catalog No: AG004TVP MDL No:
Product Description
Catalog Number:
AG004TVP
Chemical Name:
Carbamic acid, (4-ethoxy-3-methoxyphenyl)-, 1-methylethyl ester
CAS Number:
87130-07-2
Molecular Formula:
C13H19NO4
Molecular Weight:
253.2943
IUPAC Name:
propan-2-yl N-(4-ethoxy-3-methoxyphenyl)carbamate
InChI:
InChI=1S/C13H19NO4/c1-5-17-11-7-6-10(8-12(11)16-4)14-13(15)18-9(2)3/h6-9H,5H2,1-4H3,(H,14,15)
InChI Key:
MDBAMSRHCSBPCP-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1OC)NC(=O)OC(C)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.298g/mol
Monoisotopic Mass:
253.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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