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88072-74-6 | Phenol, 2-(4-methyl-2H-1-benzopyran-3-yl)-
CAS No: 88072-74-6 Catalog No: AG004KK6 MDL No:
Product Description
Catalog Number:
AG004KK6
Chemical Name:
Phenol, 2-(4-methyl-2H-1-benzopyran-3-yl)-
CAS Number:
88072-74-6
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
IUPAC Name:
2-(4-methyl-2H-chromen-3-yl)phenol
InChI:
InChI=1S/C16H14O2/c1-11-12-6-3-5-9-16(12)18-10-14(11)13-7-2-4-8-15(13)17/h2-9,17H,10H2,1H3
InChI Key:
MBPOOROGIOHHSA-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C1=C(C)c2c(OC1)cccc2
Properties
Complexity:
334
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:
1
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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