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102249-66-1 | 1H-2-Benzopyran, 3,4-dihydro-1,3-dimethyl-, (1R,3S)-rel-
CAS No: 102249-66-1 Catalog No: AG00070K MDL No:
Product Description
Catalog Number:
AG00070K
Chemical Name:
1H-2-Benzopyran, 3,4-dihydro-1,3-dimethyl-, (1R,3S)-rel-
CAS Number:
102249-66-1
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
1,3-dimethyl-3,4-dihydro-1H-isochromene
InChI:
InChI=1S/C11H14O/c1-8-7-10-5-3-4-6-11(10)9(2)12-8/h3-6,8-9H,7H2,1-2H3
InChI Key:
AIODYCJUHTYCEB-UHFFFAOYSA-N
SMILES:
C[C@@H]1O[C@H](C)c2c(C1)cccc2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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