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17937-03-0 | 2H-1-Benzopyran, 3,4-dihydro-2,2,4-trimethyl-
CAS No: 17937-03-0 Catalog No: AG0026YK MDL No:
Product Description
Catalog Number:
AG0026YK
Chemical Name:
2H-1-Benzopyran, 3,4-dihydro-2,2,4-trimethyl-
CAS Number:
17937-03-0
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
2,2,4-trimethyl-3,4-dihydrochromene
InChI:
InChI=1S/C12H16O/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-7,9H,8H2,1-3H3
InChI Key:
RZWKXCCZVCZJOU-UHFFFAOYSA-N
SMILES:
CC1CC(C)(C)Oc2c1cccc2
EC Number:
241-871-9
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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