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102104-61-0 | Oxirane, 2-(3,4-dimethoxyphenyl)-
CAS No: 102104-61-0 Catalog No: AG0006N7 MDL No:
Product Description
Catalog Number:
AG0006N7
Chemical Name:
Oxirane, 2-(3,4-dimethoxyphenyl)-
CAS Number:
102104-61-0
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
2-(3,4-dimethoxyphenyl)oxirane
InChI:
InChI=1S/C10H12O3/c1-11-8-4-3-7(10-6-13-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3
InChI Key:
OLWRRBNHIYEGMR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C1CO1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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