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138219-96-2 | 2H-1-Benzopyran, 6-(1-methyl-1-phenylethyl)-
CAS No: 138219-96-2 Catalog No: AG0018BL MDL No:
Product Description
Catalog Number:
AG0018BL
Chemical Name:
2H-1-Benzopyran, 6-(1-methyl-1-phenylethyl)-
CAS Number:
138219-96-2
Molecular Formula:
C18H18O
Molecular Weight:
250.3349
IUPAC Name:
6-(2-phenylpropan-2-yl)-2H-chromene
InChI:
InChI=1S/C18H18O/c1-18(2,15-8-4-3-5-9-15)16-10-11-17-14(13-16)7-6-12-19-17/h3-11,13H,12H2,1-2H3
InChI Key:
WVEADLIARBPDQJ-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)C=CCO2)(c1ccccc1)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.341g/mol
Monoisotopic Mass:
250.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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