AG002K8C

2094-74-8 | 1-Adamantane carboxaldehyde

AG002K8C

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CAS Number	2094-74-8
Catalog Number	AG002K8C(AGN-PC-0NEWII)
Chemical Name	1-Adamantane carboxaldehyde
IUPAC Name	adamantane-1-carbaldehyde
InChI	InChI=1S/C11H16O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2
InChI Key	DZULQZKFBAHSRX-UHFFFAOYSA-N
MDL Number	MFCD12031698
Molecular Formula	C11H16O
Molecular Weight	164.2441
SMILES	C12(CC3CC(CC(C1)C3)C2)C=O
Synonyms	2094-74-8, Adamantane-1-carbaldehyde, 1-adamantanecarboxaldehyde, 1-ADAMANTANE CARBOXALDEHYDE, 1-formyladamantane, 1-ADAMANTYLCARBOXALDEHYDE, TRICYCLO[3.3.1.13,7]DECANE-1-CARBOXALDEHYDE, CHEMBL19155, PubChem21673, 1-adamantanecarboaldehyde, SCHEMBL354847, 1-ADAMANTANECARBALDEHYDE, CTK8B8938, DTXSID10452930, DZULQZKFBAHSRX-UHFFFAOYSA-N, ADAMANTANE-1-CARBOXALDEHYDE, BCP22615, CS-M2960, KS-00000B4B, 0717AB, ANW-61617, BDBM50028823, MFCD12031698, ZINC28221525, AKOS012321618, CA-1769, CS-W000203, FCH5061050, PB15053, AS-50892, BBV-36841865, CS-12022, OR315781, SY035842, DB-066382, TC-150362, FT-0696602, MFCD12031698 (95%), Q-1219, 094A748, I14-9379, F2147-2003, C11H16O, ACN-031829, CID11041050,

Complexity	178
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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405
UN Code

Certificate of Analysis

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