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865603-11-8 | Carbamic acid, (3-ethoxyphenyl)-, oxiranylmethyl ester
CAS No: 865603-11-8 Catalog No: AG004UL7 MDL No:
Product Description
Catalog Number:
AG004UL7
Chemical Name:
Carbamic acid, (3-ethoxyphenyl)-, oxiranylmethyl ester
CAS Number:
865603-11-8
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
oxiran-2-ylmethyl N-(3-ethoxyphenyl)carbamate
InChI:
InChI=1S/C12H15NO4/c1-2-15-10-5-3-4-9(6-10)13-12(14)17-8-11-7-16-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)
InChI Key:
HSBSYNPEDSIYBQ-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1)NC(=O)OCC1CO1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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