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70809-23-3 | 1H-Indene-3-carboxaldehyde, 1,1-dimethyl-
CAS No: 70809-23-3 Catalog No: AG0064CN MDL No:
Product Description
Catalog Number:
AG0064CN
Chemical Name:
1H-Indene-3-carboxaldehyde, 1,1-dimethyl-
CAS Number:
70809-23-3
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
IUPAC Name:
3,3-dimethylindene-1-carbaldehyde
InChI:
InChI=1S/C12H12O/c1-12(2)7-9(8-13)10-5-3-4-6-11(10)12/h3-8H,1-2H3
InChI Key:
QHPVAPNWNDHYPA-UHFFFAOYSA-N
SMILES:
O=CC1=CC(c2c1cccc2)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.227g/mol
Monoisotopic Mass:
172.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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