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9045-79-8 | formaldehyde; 2-methyloxirane; phenol
CAS No: 9045-79-8 Catalog No: AG006DT4 MDL No:
Product Description
Catalog Number:
AG006DT4
Chemical Name:
formaldehyde; 2-methyloxirane; phenol
CAS Number:
9045-79-8
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
formaldehyde;2-methyloxirane;phenol
InChI:
InChI=1S/C6H6O.C3H6O.CH2O/c7-6-4-2-1-3-5-6;1-3-2-4-3;1-2/h1-5,7H;3H,2H2,1H3;1H2
InChI Key:
UPZYOZQOKITEAX-UHFFFAOYSA-N
SMILES:
Oc1ccccc1.CC1CO1.C=O
EC Number:
607-705-8
Properties
Complexity:
74.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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