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180464-92-0 | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-formyl-, methyl ester
CAS No: 180464-92-0 Catalog No: AG002207 MDL No:MFCD24682458
Product Description
Catalog Number:
AG002207
Chemical Name:
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-formyl-, methyl ester
CAS Number:
180464-92-0
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
MDL Number:
MFCD24682458
IUPAC Name:
methyl 3-formylbicyclo[1.1.1]pentane-1-carboxylate
InChI:
InChI=1S/C8H10O3/c1-11-6(10)8-2-7(3-8,4-8)5-9/h5H,2-4H2,1H3
InChI Key:
SWHCZCYZLWROJM-UHFFFAOYSA-N
SMILES:
COC(=O)C12CC(C1)(C2)C=O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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