AG00HZ1E

1638771-06-8 | tert-Butyl N-{3-formylbicyclo[1.1.1]pentan-1-yl}carbamate

AG00HZ1E

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CAS Number	1638771-06-8
Catalog Number	AG00HZ1E(AGN-PC-0WD8SR)
Chemical Name	tert-Butyl N-{3-formylbicyclo[1.1.1]pentan-1-yl}carbamate
IUPAC Name	tert-butyl N-(3-formyl-1-bicyclo[1.1.1]pentanyl)carbamate
InChI	InChI=1S/C11H17NO3/c1-9(2,3)15-8(14)12-11-4-10(5-11,6-11)7-13/h7H,4-6H2,1-3H3,(H,12,14)
InChI Key	XIUDXZJLBOFVKS-UHFFFAOYSA-N
MDL Number	MFCD27987008
Molecular Formula	C11H17NO3
Molecular Weight	211.2576
SMILES	O=C(OC(C)(C)C)NC1(C2)CC2(C=O)C1
Synonyms	1638771-06-8, tert-Butyl (3-formylbicyclo[1.1.1]pentan-1-yl)carbamate, TERT-BUTYL N-{3-FORMYLBICYCLO[1.1.1]PENTAN-1-YL}CARBAMATE, 3-(BOC-AMINO)-BICYCLO[1.1.1]PENTANE-1-CARBALDEHYDE, SCHEMBL18624573, MFCD27987008, AKOS027252369, ZINC238122462, FCH2515792, SB11712, AS-52068, OR312436, CS-0047903,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.121g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.261g/mol
Monoisotopic Mass	211.121g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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