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Home > Other Heterocycles > 80251-97-4
80251-97-4 | Bicyclo[4.2.0]octa-1,3,5-triene-7-propanal, 3-methoxy-
CAS No: 80251-97-4 Catalog No: AG00542U MDL No:
Product Description
Catalog Number:
AG00542U
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene-7-propanal, 3-methoxy-
CAS Number:
80251-97-4
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
3-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)propanal
InChI:
InChI=1S/C12H14O2/c1-14-11-4-5-12-9(3-2-6-13)7-10(12)8-11/h4-6,8-9H,2-3,7H2,1H3
InChI Key:
MHDVNPVTZBMALU-UHFFFAOYSA-N
SMILES:
O=CCCC1Cc2c1ccc(c2)OC
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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