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Home > Aldehydes > 137655-58-4
137655-58-4 | Benzaldehyde, 3-(3-chloro-5-oxo-1,3-pentadien-1-yl)-4-methoxy-
CAS No: 137655-58-4 Catalog No: AG0013PH MDL No:
Product Description
Catalog Number:
AG0013PH
Chemical Name:
Benzaldehyde, 3-(3-chloro-5-oxo-1,3-pentadien-1-yl)-4-methoxy-
CAS Number:
137655-58-4
Molecular Formula:
C13H11ClO3
Molecular Weight:
250.6776
IUPAC Name:
3-(3-chloro-5-oxopenta-1,3-dienyl)-4-methoxybenzaldehyde
InChI:
InChI=1S/C13H11ClO3/c1-17-13-5-2-10(9-16)8-11(13)3-4-12(14)6-7-15/h2-9H,1H3
InChI Key:
RGRRSUBFEOQPEV-UHFFFAOYSA-N
SMILES:
O=CC=C(C=Cc1cc(C=O)ccc1OC)Cl
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.678g/mol
Monoisotopic Mass:
250.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.3
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