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67939-70-2

67939-70-2 | 2-(chloromethyl)oxirane; oxaldehyde; phenol

CAS No: 67939-70-2 Catalog No: AG005OPZ MDL No:

Product Description

Catalog Number:
AG005OPZ
Chemical Name:
2-(chloromethyl)oxirane; oxaldehyde; phenol
CAS Number:
67939-70-2
Molecular Formula:
C11H13ClO4
Molecular Weight:
244.6715
IUPAC Name:
2-(chloromethyl)oxirane;oxaldehyde;phenol
InChI:
InChI=1S/C6H6O.C3H5ClO.C2H2O2/c7-6-4-2-1-3-5-6;4-1-3-2-5-3;3-1-2-4/h1-5,7H;3H,1-2H2;1-2H
InChI Key:
HZDJEETZHCDZBZ-UHFFFAOYSA-N
SMILES:
Oc1ccccc1.ClCC1CO1.O=CC=O
EC Number:
500-177-9

Properties

Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.05g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.671g/mol
Monoisotopic Mass:
244.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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