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28994-46-9 | Phenol, 4-[(4-methylphenyl)methyl]-
CAS No: 28994-46-9 Catalog No: AG002V5I MDL No:
Product Description
Catalog Number:
AG002V5I
Chemical Name:
Phenol, 4-[(4-methylphenyl)methyl]-
CAS Number:
28994-46-9
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
4-[(4-methylphenyl)methyl]phenol
InChI:
InChI=1S/C14H14O/c1-11-2-4-12(5-3-11)10-13-6-8-14(15)9-7-13/h2-9,15H,10H2,1H3
InChI Key:
GPLFFBUSCBMSNI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cc1ccc(cc1)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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