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23450-27-3 | Benzene, 1-methoxy-3-(phenylmethyl)-
CAS No: 23450-27-3 Catalog No: AG002NAX MDL No:
Product Description
Catalog Number:
AG002NAX
Chemical Name:
Benzene, 1-methoxy-3-(phenylmethyl)-
CAS Number:
23450-27-3
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
1-benzyl-3-methoxybenzene
InChI:
InChI=1S/C14H14O/c1-15-14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
InChI Key:
OJMXATJXHTWJDR-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Cc1ccccc1
Properties
Complexity:
172
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:
0
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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