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20401-88-1 | Benzenepropanal, 4-methoxy-
CAS No: 20401-88-1 Catalog No: AG0029A5 MDL No:MFCD00673205
Product Description
Catalog Number:
AG0029A5
Chemical Name:
Benzenepropanal, 4-methoxy-
CAS Number:
20401-88-1
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00673205
IUPAC Name:
3-(4-methoxyphenyl)propanal
InChI:
InChI=1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-8H,2-3H2,1H3
InChI Key:
ZOXCMZXXNOSBHU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CCC=O
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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