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87287-74-9 | 2H-1-Benzopyran, 2,2-diethyl-3-methyl-
CAS No: 87287-74-9 Catalog No: AG004LSS MDL No:
Product Description
Catalog Number:
AG004LSS
Chemical Name:
2H-1-Benzopyran, 2,2-diethyl-3-methyl-
CAS Number:
87287-74-9
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
IUPAC Name:
2,2-diethyl-3-methylchromene
InChI:
InChI=1S/C14H18O/c1-4-14(5-2)11(3)10-12-8-6-7-9-13(12)15-14/h6-10H,4-5H2,1-3H3
InChI Key:
BBMVSCGYRMTAKW-UHFFFAOYSA-N
SMILES:
CCC1(CC)Oc2ccccc2C=C1C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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