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113949-25-0 | 3-Buten-2-ol, 4-(2,3-dimethoxyphenyl)-2-methyl-
CAS No: 113949-25-0 Catalog No: AG000A5A MDL No:
Product Description
Catalog Number:
AG000A5A
Chemical Name:
3-Buten-2-ol, 4-(2,3-dimethoxyphenyl)-2-methyl-
CAS Number:
113949-25-0
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
4-(2,3-dimethoxyphenyl)-2-methylbut-3-en-2-ol
InChI:
InChI=1S/C13H18O3/c1-13(2,14)9-8-10-6-5-7-11(15-3)12(10)16-4/h5-9,14H,1-4H3
InChI Key:
NQKDOZONHBFTJF-UHFFFAOYSA-N
SMILES:
COc1c(cccc1OC)C=CC(O)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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