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Home > Aldehydes > 101955-04-8
101955-04-8 | 6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULENE-7-CARBALDEHYDE
CAS No: 101955-04-8 Catalog No: AG01BYCR MDL No:MFCD24677339
Product Description
Catalog Number:
AG01BYCR
Chemical Name:
6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULENE-7-CARBALDEHYDE
CAS Number:
101955-04-8
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD24677339
IUPAC Name:
6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carbaldehyde
InChI:
InChI=1S/C12H14O/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10/h1-4,9-10H,5-8H2
InChI Key:
OPRZIAMAZGZMCH-UHFFFAOYSA-N
SMILES:
O=CC1CCc2c(CC1)cccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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