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76794-25-7 | 1,4-Cyclopentadiene-1-carboxaldehyde,3-[(dimethylamino)methylene]-
CAS No: 76794-25-7 Catalog No: AG005U56 MDL No:
Product Description
Catalog Number:
AG005U56
Chemical Name:
1,4-Cyclopentadiene-1-carboxaldehyde,3-[(dimethylamino)methylene]-
CAS Number:
76794-25-7
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
IUPAC Name:
3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carbaldehyde
InChI:
InChI=1S/C9H11NO/c1-10(2)6-8-3-4-9(5-8)7-11/h3-7H,1-2H3
InChI Key:
BTXPWQOMGRYMGB-UHFFFAOYSA-N
SMILES:
O=CC1=CC(=CN(C)C)C=C1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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