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137780-01-9 | Benzene, 5-(chloromethyl)-1,3-dimethoxy-2-propoxy-
CAS No: 137780-01-9 Catalog No: AG0013TS MDL No:
Product Description
Catalog Number:
AG0013TS
Chemical Name:
Benzene, 5-(chloromethyl)-1,3-dimethoxy-2-propoxy-
CAS Number:
137780-01-9
Molecular Formula:
C12H17ClO3
Molecular Weight:
244.7146
IUPAC Name:
5-(chloromethyl)-1,3-dimethoxy-2-propoxybenzene
InChI:
InChI=1S/C12H17ClO3/c1-4-5-16-12-10(14-2)6-9(8-13)7-11(12)15-3/h6-7H,4-5,8H2,1-3H3
InChI Key:
DMGKCNPPEALVLC-UHFFFAOYSA-N
SMILES:
CCCOc1c(OC)cc(cc1OC)CCl
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.715g/mol
Monoisotopic Mass:
244.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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