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88715-31-5 | Carbamic acid, (4-ethoxy-3-ethylphenyl)-, 1-methylethyl ester
CAS No: 88715-31-5 Catalog No: AG0045D8 MDL No:
Product Description
Catalog Number:
AG0045D8
Chemical Name:
Carbamic acid, (4-ethoxy-3-ethylphenyl)-, 1-methylethyl ester
CAS Number:
88715-31-5
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
propan-2-yl N-(4-ethoxy-3-ethylphenyl)carbamate
InChI:
InChI=1S/C14H21NO3/c1-5-11-9-12(7-8-13(11)17-6-2)15-14(16)18-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)
InChI Key:
IUGVKQQJUZMPLS-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1CC)NC(=O)OC(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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