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67783-98-6 | formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylphenol
CAS No: 67783-98-6 Catalog No: AG006J89 MDL No:
Product Description
Catalog Number:
AG006J89
Chemical Name:
formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylphenol
CAS Number:
67783-98-6
Molecular Formula:
C23H26O4
Molecular Weight:
366.4501
IUPAC Name:
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methylphenol
InChI:
InChI=1S/C15H16O2.C7H8O.CH2O/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-6-4-2-3-5-7(6)8;1-2/h3-10,16-17H,1-2H3;2-5,8H,1H3;1H2
InChI Key:
UQPVDMBESIUSNL-UHFFFAOYSA-N
SMILES:
Cc1ccccc1O.Oc1ccc(cc1)C(c1ccc(cc1)O)(C)C.C=O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.183g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
366.457g/mol
Monoisotopic Mass:
366.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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