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88348-39-4 | 4H-1-Benzopyran, 2-(3-methoxyphenyl)-
CAS No: 88348-39-4 Catalog No: AG00479V MDL No:
Product Description
Catalog Number:
AG00479V
Chemical Name:
4H-1-Benzopyran, 2-(3-methoxyphenyl)-
CAS Number:
88348-39-4
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
IUPAC Name:
2-(3-methoxyphenyl)-4H-chromene
InChI:
InChI=1S/C16H14O2/c1-17-14-7-4-6-13(11-14)16-10-9-12-5-2-3-8-15(12)18-16/h2-8,10-11H,9H2,1H3
InChI Key:
IZTGGDFXAVZRRN-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1=CCc2c(O1)cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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