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88348-42-9 | 2H-1-Benzopyran, 2-(4-methylphenyl)-
CAS No: 88348-42-9 Catalog No: AG0045F6 MDL No:
Product Description
Catalog Number:
AG0045F6
Chemical Name:
2H-1-Benzopyran, 2-(4-methylphenyl)-
CAS Number:
88348-42-9
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
2-(4-methylphenyl)-2H-chromene
InChI:
InChI=1S/C16H14O/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17-16/h2-11,16H,1H3
InChI Key:
SOKKYTTWVWVPDS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1C=Cc2c(O1)cccc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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