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88715-29-1 | Carbamic acid, (4-ethoxy-3-ethylphenyl)-, methyl ester
CAS No: 88715-29-1 Catalog No: AG0045DA MDL No:
Product Description
Catalog Number:
AG0045DA
Chemical Name:
Carbamic acid, (4-ethoxy-3-ethylphenyl)-, methyl ester
CAS Number:
88715-29-1
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
methyl N-(4-ethoxy-3-ethylphenyl)carbamate
InChI:
InChI=1S/C12H17NO3/c1-4-9-8-10(13-12(14)15-3)6-7-11(9)16-5-2/h6-8H,4-5H2,1-3H3,(H,13,14)
InChI Key:
OKQZFEKJIFURQT-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1CC)NC(=O)OC
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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