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100059-18-5 | Benzeneacetaldehyde, 2-(hydroxymethyl)-4,5-dimethoxy-
CAS No: 100059-18-5 Catalog No: AG0000SN MDL No:
Product Description
Catalog Number:
AG0000SN
Chemical Name:
Benzeneacetaldehyde, 2-(hydroxymethyl)-4,5-dimethoxy-
CAS Number:
100059-18-5
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]acetaldehyde
InChI:
InChI=1S/C11H14O4/c1-14-10-5-8(3-4-12)9(7-13)6-11(10)15-2/h4-6,13H,3,7H2,1-2H3
InChI Key:
NONGAXIWNXQONM-UHFFFAOYSA-N
SMILES:
O=CCc1cc(OC)c(cc1CO)OC
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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