CAS
93963-19-0 Purity
96%
93963-19-0 Purity
96%
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Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid,2-phenyl-,ethyl ester
CAS
93963-29-2
Catalog Number
ACM93963292
Category
Other Products
Molecular Weight
242.31292
Molecular Formula
C16H18O2
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Specification
Synonyms
EINECS 300-771-6, Ethyl 2-phenylbicyclo(2.2.1)hept-5-ene-2-carboxylate, 93963-29-2
IUPAC Name
ethyl 5-phenylbicyclo[2.2.1]hept-2-ene-5-carboxylate
Canonical SMILES
CCOC(=O)C1(CC2CC1C=C2)C3=CC=CC=C3
InChI Key
OTAUMCQINVLSGE-UHFFFAOYSA-N
Boiling Point
324.3ºC at 760mmHg
Flash Point
143ºC
Density
1.125g/cm³
EC Number
300-771-6
Exact Mass
242.13100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 44152800?
The molecular formula is C16H18O2.
What is the molecular weight of the compound?
The molecular weight is 242.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 2-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the Canonical SMILES notation of the compound?
CCOC(=O)C1(CC2CC1C=C2)C3=CC=CC=C3.
What is the InChIKey of the compound?
OTAUMCQINVLSGE-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 26.3 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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