AG002DZ3

18979-72-1 | Phenol, 3-butoxy-

AG002DZ3

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CAS Number	18979-72-1
Catalog Number	AG002DZ3(AGN-PC-07A1TA)
Chemical Name	Phenol, 3-butoxy-
EC Number	242-715-2
IUPAC Name	3-butoxyphenol
InChI	InChI=1S/C10H14O2/c1-2-3-7-12-10-6-4-5-9(11)8-10/h4-6,8,11H,2-3,7H2,1H3
InChI Key	VGIJZDWQVCXVNL-UHFFFAOYSA-N
MDL Number	MFCD00058976
Molecular Formula	C10H14O2
Molecular Weight	166.2170
NSC Number	35992
SMILES	OC1=CC=CC(OCCCC)=C1
Synonyms	3-Butoxyphenol, 18979-72-1, Phenol, 3-butoxy-, VGIJZDWQVCXVNL-UHFFFAOYSA-N, 3-n-butoxyphenol, 3-Butoxyphenol #, 3-n-butyloxyphenol, NSC35992, EINECS 242-715-2, Resorcinmonobutylather, 3-(n-butoxy)phenol, AC1Q2XIZ, Resorcinol Monobutyl Ether, ACMC-209et6, AC1L3EL5, AC1Q57GA, 3-Butoxyphenol, AldrichCPR, SCHEMBL875417, CTK0I2045, DTXSID70172405, ZINC1668532, ANW-23464, MFCD00058976, NSC-35992, AKOS009158773, BBV-2069330, AS-10380, CJ-27061, TC-112209, B0701, FT-0615271, C-46349, I14-63342, 4-n-Butoxyphenol, CID87876, AR-1F2366, C10-H14-O2, 19372-45-3,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.099g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.22g/mol
Monoisotopic Mass	166.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code	\N

Certificate of Analysis

Lot Number