AG002F60

191348-04-6 | (3S)-3-Formyl-1-pyrrolidinecarboxylic acid tert-butyl ester

AG002F60

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CAS Number	191348-04-6
Catalog Number	AG002F60(AGN-PC-0O65QH)
Chemical Name	(3S)-3-Formyl-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC Name	tert-butyl (3S)-3-formylpyrrolidine-1-carboxylate
InChI	InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChI Key	DWLADVOODHZCFV-QMMMGPOBSA-N
MDL Number	MFCD14635729
Molecular Formula	C10H17NO3
Molecular Weight	199.2469
SMILES	O=C(N1C[C@@H](C=O)CC1)OC(C)(C)C
Synonyms	191348-04-6, (S)-tert-butyl 3-formylpyrrolidine-1-carboxylate, (S)-1-Boc-3-pyrrolidinecarbaldehyde, (3S)-3-FORMYL-1-PYRROLIDINECARBOXYLIC ACID TERT-BUTYL ESTER, tert-butyl (3S)-3-formylpyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid, 3-formyl-, 1,1-dimethylethyl ester, (S)-, AK112807, AC1LTTCO, SCHEMBL35456, DTXSID40363863, (S)-3-formyl-1-Boc-pyrrolidine, DWLADVOODHZCFV-QMMMGPOBSA-N, ZINC1436153, MFCD14635729, AKOS016009921, FCH3646381, SB11623, AJ-25979, CJ-05012, CJ-23432, AX8220311, DB-065747, CS-0079694, FT-0770404, ST24036462, 348B046, (S)-3-Formylpyrrolidine-1-carboxylic Acid t-Butyl Ester, (S)-3-Formyl-pyrrolidine-1-carboxylic acid t-butyl ester, (S)-3-formylpyrrolidine-1 -carboxylic acid t-butyl ester, 1-Pyrrolidinecarboxylic acid, 3-formyl-, 1,1-dimethylethyl ester, (3S)-, CID1514343, Tert-butyl 3-formylpyrrolidine-1-carboxylate, (S)-tert-Butyl3-formylpyrrolidine-1-carboxylate, tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate, 191347-94-1,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	199.121g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.25g/mol
Monoisotopic Mass	199.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

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