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87675-28-3 | Carbamic acid, (4-methoxy-2-methyl-3-thienyl)-, phenylmethyl ester
CAS No: 87675-28-3 Catalog No: AG004NZI MDL No:
Product Description
Catalog Number:
AG004NZI
Chemical Name:
Carbamic acid, (4-methoxy-2-methyl-3-thienyl)-, phenylmethyl ester
CAS Number:
87675-28-3
Molecular Formula:
C14H15NO3S
Molecular Weight:
277.3388
IUPAC Name:
benzyl N-(4-methoxy-2-methylthiophen-3-yl)carbamate
InChI:
InChI=1S/C14H15NO3S/c1-10-13(12(17-2)9-19-10)15-14(16)18-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,15,16)
InChI Key:
PSMUQXYKIDXSDJ-UHFFFAOYSA-N
SMILES:
COc1csc(c1NC(=O)OCc1ccccc1)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.338g/mol
Monoisotopic Mass:
277.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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