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101529-24-2 | 2H-1-Benzopyran-2-ethanol, 6-chloro-3,4-dihydro-2-methyl-
CAS No: 101529-24-2 Catalog No: AG0004QH MDL No:
Product Description
Catalog Number:
AG0004QH
Chemical Name:
2H-1-Benzopyran-2-ethanol, 6-chloro-3,4-dihydro-2-methyl-
CAS Number:
101529-24-2
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
IUPAC Name:
2-(6-chloro-2-methyl-3,4-dihydrochromen-2-yl)ethanol
InChI:
InChI=1S/C12H15ClO2/c1-12(6-7-14)5-4-9-8-10(13)2-3-11(9)15-12/h2-3,8,14H,4-7H2,1H3
InChI Key:
BCBMUTCSMQFWQJ-UHFFFAOYSA-N
SMILES:
OCCC1(C)CCc2c(O1)ccc(c2)Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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