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70750-20-8 | chloromethane; formaldehyde; N-methylmethanamine; prop-2-enamide
CAS No: 70750-20-8 Catalog No: AG005GND MDL No:
Product Description
Catalog Number:
AG005GND
Chemical Name:
chloromethane; formaldehyde; N-methylmethanamine; prop-2-enamide
CAS Number:
70750-20-8
Molecular Formula:
C7H17ClN2O2
Molecular Weight:
196.6751
IUPAC Name:
chloromethane;formaldehyde;N-methylmethanamine;prop-2-enamide
InChI:
InChI=1S/C3H5NO.C2H7N.CH3Cl.CH2O/c1-2-3(4)5;1-3-2;2*1-2/h2H,1H2,(H2,4,5);3H,1-2H3;1H3;1H2
InChI Key:
WCBUXFKFTGOXKB-UHFFFAOYSA-N
SMILES:
C=CC(=O)N.CNC.O=C.ClC
Properties
Complexity:
64.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.098g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.675g/mol
Monoisotopic Mass:
196.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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