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2621-79-6 | Carbamic acid, N-methyl-N-phenyl-, ethyl ester
CAS No: 2621-79-6 Catalog No: AG002SA5 MDL No:MFCD00009105
Product Description
Catalog Number:
AG002SA5
Chemical Name:
Carbamic acid, N-methyl-N-phenyl-, ethyl ester
CAS Number:
2621-79-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00009105
IUPAC Name:
ethyl N-methyl-N-phenylcarbamate
InChI:
InChI=1S/C10H13NO2/c1-3-13-10(12)11(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChI Key:
QHGZFCAIXRVHID-UHFFFAOYSA-N
SMILES:
CCOC(=O)N(c1ccccc1)C
EC Number:
220-065-0
NSC Number:
65608
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Comprehensive non-targeted analysis of contaminated groundwater of a former ammunition destruction site using 1H-NMR and HPLC-SPE-NMR/TOF-MS. | Environmental science & technology 20090915 |
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