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17696-53-6 | Phenol, 2-methoxy-4-[(phenylimino)methyl]-
CAS No: 17696-53-6 Catalog No: AG002508 MDL No:
Product Description
Catalog Number:
AG002508
Chemical Name:
Phenol, 2-methoxy-4-[(phenylimino)methyl]-
CAS Number:
17696-53-6
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
2-methoxy-4-(phenyliminomethyl)phenol
InChI:
InChI=1S/C14H13NO2/c1-17-14-9-11(7-8-13(14)16)10-15-12-5-3-2-4-6-12/h2-10,16H,1H3
InChI Key:
NQTPEBUGIFUYEC-UHFFFAOYSA-N
SMILES:
COc1cc(C=Nc2ccccc2)ccc1O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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