AG00CIZZ

39750-93-1 | Adamantane-2-carbaldehyde

AG00CIZZ

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CAS Number	39750-93-1
Catalog Number	AG00CIZZ(AGN-PC-0NJ2XA)
Chemical Name	Adamantane-2-carbaldehyde
IUPAC Name	adamantane-2-carbaldehyde
InChI	InChI=1S/C11H16O/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h6-11H,1-5H2
InChI Key	VGBBJZYOAOCLLS-UHFFFAOYSA-N
MDL Number	MFCD22201211
Molecular Formula	C11H16O
Molecular Weight	164.2441
SMILES	O=CC1C2CC3CC1CC(C3)C2
Synonyms	Adamantane-2-carbaldehyde, 39750-93-1, Tricyclo[3.3.1.13,7]decane-2-carboxaldehyde, 2-adamantanecarbaldehyde, 2-adamantane carbaldehyde, 2-ADAMANTANEALDEHYDE, SCHEMBL353989, CTK7H8470, DTXSID00499531, 2-ADAMANTANECARBOXZALDEHYDE, VGBBJZYOAOCLLS-UHFFFAOYSA-N, ZINC39234232, AKOS015917854, AJ-99259, Tricyclo[3.3.1.1~3,7~]decane-2-carbaldehyde, I14-9409, 2-Adamantanecarboxaldehyde, ACN-053905,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.12g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.248g/mol
Monoisotopic Mass	164.12g/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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number