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88715-42-8 | Carbamic acid, (4-ethoxy-3-propylphenyl)-, methyl ester
CAS No: 88715-42-8 Catalog No: AG0045U3 MDL No:
Product Description
Catalog Number:
AG0045U3
Chemical Name:
Carbamic acid, (4-ethoxy-3-propylphenyl)-, methyl ester
CAS Number:
88715-42-8
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
methyl N-(4-ethoxy-3-propylphenyl)carbamate
InChI:
InChI=1S/C13H19NO3/c1-4-6-10-9-11(14-13(15)16-3)7-8-12(10)17-5-2/h7-9H,4-6H2,1-3H3,(H,14,15)
InChI Key:
VROXTEXHCVLCIR-UHFFFAOYSA-N
SMILES:
CCCc1cc(ccc1OCC)NC(=O)OC
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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