tert-butyl N-[(2E)-4-hydroxybut-2-en-1-yl]carbamate

tert-butyl N-[(2E)-4-hydroxybut-2-en-1-yl]carbamate

CAS: 104700-42-7

Formula: C9H17NO3

SMILES: CC(C)(C)OC(=O)NCC=CCO

IUPAC: tert-butyl N-[(2E)-4-hydroxybut-2-en-1-yl]carbamate

InChI: InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-6-4-5-7-11/h4-5,11H,6-7H2,1-3H3,(H,10,12)/b5-4+

Composition: C (57.73%), H (9.15%), N (7.48%), O (25.63%)

Molar Mass: 187.239

Atom Count: 30

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	187.120843411
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	VYNNEQMTIKFYLS-SNAWJCMRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.4
Topological Polar Surface Area	58.56
Polarizability	19.61
Ring Count	0
Rotatable Bond Count	5

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97%	<7 Days	104700-42-7		$152.41-$1,330.51$152.41$193.55$430.10$1,330.51

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95%	<5 Days	104700-42-7		$100.88-$363.17$100.88$138.71$363.17