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88208-85-9 | 3-Phenanthrenecarboxaldehyde, 1,4,8-trimethoxy-2-methyl-
CAS No: 88208-85-9 Catalog No: AG004C1D MDL No:
Product Description
Catalog Number:
AG004C1D
Chemical Name:
3-Phenanthrenecarboxaldehyde, 1,4,8-trimethoxy-2-methyl-
CAS Number:
88208-85-9
Molecular Formula:
C19H18O4
Molecular Weight:
310.3438
IUPAC Name:
1,4,8-trimethoxy-2-methylphenanthrene-3-carbaldehyde
InChI:
InChI=1S/C19H18O4/c1-11-15(10-20)19(23-4)17-13-6-5-7-16(21-2)12(13)8-9-14(17)18(11)22-3/h5-10H,1-4H3
InChI Key:
VKZVSLIDWALPEN-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c(OC)c2c(c1OC)c1cccc(c1cc2)OC
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.349g/mol
Monoisotopic Mass:
310.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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