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Home > Aldehydes > 175671-37-1
175671-37-1 | Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-phenyl-
CAS No: 175671-37-1 Catalog No: AG00214B MDL No:
Product Description
Catalog Number:
AG00214B
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 3-phenyl-
CAS Number:
175671-37-1
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
InChI:
InChI=1S/C14H14O/c15-9-13-11-6-7-12(8-11)14(13)10-4-2-1-3-5-10/h1-7,9,11-14H,8H2
InChI Key:
MZTKSBCQWRXZLQ-UHFFFAOYSA-N
SMILES:
O=CC1C2C=CC(C1c1ccccc1)C2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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