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13640-77-2 | Carbamic acid, (2-oxocyclohexyl)-, ethyl ester (9CI)
CAS No: 13640-77-2 Catalog No: AG0011U6 MDL No:
Product Description
Catalog Number:
AG0011U6
Chemical Name:
Carbamic acid, (2-oxocyclohexyl)-, ethyl ester (9CI)
CAS Number:
13640-77-2
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
ethyl N-(2-oxocyclohexyl)carbamate
InChI:
InChI=1S/C9H15NO3/c1-2-13-9(12)10-7-5-3-4-6-8(7)11/h7H,2-6H2,1H3,(H,10,12)
InChI Key:
CHDHEMYTBPOZHM-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC1CCCCC1=O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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