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141975-49-7 | 2H-1-Benzopyran-7-ol, 3,4-dihydro-2,2-dimethyl-4-(1-methylethyl)-
CAS No: 141975-49-7 Catalog No: AG001HH1 MDL No:
Product Description
Catalog Number:
AG001HH1
Chemical Name:
2H-1-Benzopyran-7-ol, 3,4-dihydro-2,2-dimethyl-4-(1-methylethyl)-
CAS Number:
141975-49-7
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
2,2-dimethyl-4-propan-2-yl-3,4-dihydrochromen-7-ol
InChI:
InChI=1S/C14H20O2/c1-9(2)12-8-14(3,4)16-13-7-10(15)5-6-11(12)13/h5-7,9,12,15H,8H2,1-4H3
InChI Key:
XEQJMMVFKDVPCI-UHFFFAOYSA-N
SMILES:
CC(C1CC(C)(C)Oc2c1ccc(c2)O)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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