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117052-18-3 | Benzenemethanol, 5-chloro-2,3-dimethoxy-α-methyl-
CAS No: 117052-18-3 Catalog No: AG000DMI MDL No:
Product Description
Catalog Number:
AG000DMI
Chemical Name:
Benzenemethanol, 5-chloro-2,3-dimethoxy-α-methyl-
CAS Number:
117052-18-3
Molecular Formula:
C10H13ClO3
Molecular Weight:
216.6614
IUPAC Name:
1-(5-chloro-2,3-dimethoxyphenyl)ethanol
InChI:
InChI=1S/C10H13ClO3/c1-6(12)8-4-7(11)5-9(13-2)10(8)14-3/h4-6,12H,1-3H3
InChI Key:
SSWSVUDBJHGMQN-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1C(O)C)Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.661g/mol
Monoisotopic Mass:
216.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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