200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 164661-12-5
164661-12-5 | 3-Butene-1,2-diol, 4-(3,4-dimethoxyphenyl)-, (3E)-
CAS No: 164661-12-5 Catalog No: AG001V1F MDL No:MFCD19441044
Product Description
Catalog Number:
AG001V1F
Chemical Name:
3-Butene-1,2-diol, 4-(3,4-dimethoxyphenyl)-, (3E)-
CAS Number:
164661-12-5
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD19441044
IUPAC Name:
(E)-4-(3,4-dimethoxyphenyl)but-3-ene-1,2-diol
InChI:
InChI=1S/C12H16O4/c1-15-11-6-4-9(7-12(11)16-2)3-5-10(14)8-13/h3-7,10,13-14H,8H2,1-2H3/b5-3+
InChI Key:
LFOKKKFXPSWWMO-HWKANZROSA-N
SMILES:
OCC(/C=C/c1ccc(c(c1)OC)OC)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.