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28906-96-9 | 2-(chloromethyl)oxirane; formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CAS No: 28906-96-9 Catalog No: AG007JOC MDL No:
Product Description
Catalog Number:
AG007JOC
Chemical Name:
2-(chloromethyl)oxirane; formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CAS Number:
28906-96-9
Molecular Formula:
C19H23ClO4
Molecular Weight:
350.8365
IUPAC Name:
2-(chloromethyl)oxirane;formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
InChI:
InChI=1S/C15H16O2.C3H5ClO.CH2O/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;4-1-3-2-5-3;1-2/h3-10,16-17H,1-2H3;3H,1-2H2;1H2
InChI Key:
BQGMHTQPOSFMAI-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)O)(c1ccc(cc1)O)C.ClCC1OC1.O=C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.839g/mol
Monoisotopic Mass:
350.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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