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88715-26-8 | Carbamic acid, (4-ethoxy-3-methylphenyl)-, 1-methylethyl ester
CAS No: 88715-26-8 Catalog No: AG0045U6 MDL No:
Product Description
Catalog Number:
AG0045U6
Chemical Name:
Carbamic acid, (4-ethoxy-3-methylphenyl)-, 1-methylethyl ester
CAS Number:
88715-26-8
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
propan-2-yl N-(4-ethoxy-3-methylphenyl)carbamate
InChI:
InChI=1S/C13H19NO3/c1-5-16-12-7-6-11(8-10(12)4)14-13(15)17-9(2)3/h6-9H,5H2,1-4H3,(H,14,15)
InChI Key:
CZYWRWQHNKESFA-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C)NC(=O)OC(C)C
Properties
Complexity:
243
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:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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